4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C121H150F10N36O14 — CID 165084194

IUPAC4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCCC(=O)[C@H]1CCCN(Nc2c(C(N)=O)cnc3[nH]ccc23)C1.N#CCCC(=O)[C@H]1CCCN(Nc2c(C(N)=O)cnc3[nH]ccc23)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)CCC(F)(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)CCC(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CC2CC2)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)F)C1
InChIInChI=1S/C18H23N5O2.C18H25N5O2.2C17H20F3N5O2.2C17H21F2N5O2.C17H20N6O2/c19-17(25)14-9-21-18-13(5-6-20-18)16(14)22-23-7-1-2-12(10-23)15(24)8-11-3-4-11;1-2-3-6-15(24)12-5-4-9-23(11-12)22-16-13-7-8-20-18(13)21-10-14(16)17(19)25;2*18-17(19,20)5-3-13(26)10-2-1-7-25(9-10)24-14-11-4-6-22-16(11)23-8-12(14)15(21)27;2*18-14(19)4-3-13(25)10-2-1-7-24(9-10)23-15-11-5-6-21-17(11)22-8-12(15)16(20)26;18-6-1-4-14(24)11-3-2-8-23(10-11)22-15-12-5-7-20-17(12)21-9-13(15)16(19)25/h5-6,9,11-12H,1-4,7-8,10H2,(H2,19,25)(H2,20,21,22);7-8,10,12H,2-6,9,11H2,1H3,(H2,19,25)(H2,20,21,22);2*4,6,8,10H,1-3,5,7,9H2,(H2,21,27)(H2,22,23,24);2*5-6,8,10,14H,1-4,7,9H2,(H2,20,26)(H2,21,22,23);5,7,9,11H,1-4,8,10H2,(H2,19,25)(H2,20,21,22)/t2*12-;4*10-;11-/m0010100/s1
InChIKeyVPOKMPCUUWEAAJ-BSQXUDDASA-N
MW2522.75 g/mol
LogP15.96
Rot. Bonds45

About 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 165084194) has the molecular formula C121H150F10N36O14 and a molecular weight of 2522.75 g/mol. Its IUPAC name is 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID165084194
Molecular FormulaC121H150F10N36O14
Molecular Weight2522.75 g/mol
Exact Mass2521.20
IUPAC Name4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCCC(=O)[C@H]1CCCN(Nc2c(C(N)=O)cnc3[nH]ccc23)C1.N#CCCC(=O)[C@H]1CCCN(Nc2c(C(N)=O)cnc3[nH]ccc23)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)CCC(F)(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)CCC(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CC2CC2)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)F)C1
InChIInChI=1S/C18H23N5O2.C18H25N5O2.2C17H20F3N5O2.2C17H21F2N5O2.C17H20N6O2/c19-17(25)14-9-21-18-13(5-6-20-18)16(14)22-23-7-1-2-12(10-23)15(24)8-11-3-4-11;1-2-3-6-15(24)12-5-4-9-23(11-12)22-16-13-7-8-20-18(13)21-10-14(16)17(19)25;2*18-17(19,20)5-3-13(26)10-2-1-7-25(9-10)24-14-11-4-6-22-16(11)23-8-12(14)15(21)27;2*18-14(19)4-3-13(25)10-2-1-7-24(9-10)23-15-11-5-6-21-17(11)22-8-12(15)16(20)26;18-6-1-4-14(24)11-3-2-8-23(10-11)22-15-12-5-7-20-17(12)21-9-13(15)16(19)25/h5-6,9,11-12H,1-4,7-8,10H2,(H2,19,25)(H2,20,21,22);7-8,10,12H,2-6,9,11H2,1H3,(H2,19,25)(H2,20,21,22);2*4,6,8,10H,1-3,5,7,9H2,(H2,21,27)(H2,22,23,24);2*5-6,8,10,14H,1-4,7,9H2,(H2,20,26)(H2,21,22,23);5,7,9,11H,1-4,8,10H2,(H2,19,25)(H2,20,21,22)/t2*12-;4*10-;11-/m0010100/s1
InChIKeyVPOKMPCUUWEAAJ-BSQXUDDASA-N
XLogP15.96
TPSA752.56 Ų
H-Bond Donors21
H-Bond Acceptors36
Rotatable Bonds45
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.75
LogP ≤ 515.96
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1036

Analyze 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164962853
4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 165006384
4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 165069282
4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032793
4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032790
4-[[(4S)-4-(2,2,2-trifluoroethylcarbamoyl)azepan-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032831
4-[[(2S)-2-methyl-5-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 163851016
4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277160
4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032652
4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277273
4-[[8-(2,2,2-trifluoroacetyl)-6,8-diazabicyclo[3.2.2]nonan-6-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167100177
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 165084194) is 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CCCCC(=O)[C@H]1CCCN(Nc2c(C(N)=O)cnc3[nH]ccc23)C1.N#CCCC(=O)[C@H]1CCCN(Nc2c(C(N)=O)cnc3[nH]ccc23)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)CCC(F)(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)CCC(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CC2CC2)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)(F)F)C1.NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)F)C1.
What is the InChIKey of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VPOKMPCUUWEAAJ-BSQXUDDASA-N. The full InChI is InChI=1S/C18H23N5O2.C18H25N5O2.2C17H20F3N5O2.2C17H21F2N5O2.C17H20N6O2/c19-17(25)14-9-21-18-13(5-6-20-18)16(14)22-23-7-1-2-12(10-23)15(24)8-11-3-4-11;1-2-3-6-15(24)12-5-4-9-23(11-12)22-16-13-7-8-20-18(13)21-10-14(16)17(19)25;2*18-17(19,20)5-3-13(26)10-2-1-7-25(9-10)24-14-11-4-6-22-16(11)23-8-12(14)15(21)27;2*18-14(19)4-3-13(25)10-2-1-7-24(9-10)23-15-11-5-6-21-17(11)22-8-12(15)16(20)26;18-6-1-4-14(24)11-3-2-8-23(10-11)22-15-12-5-7-20-17(12)21-9-13(15)16(19)25/h5-6,9,11-12H,1-4,7-8,10H2,(H2,19,25)(H2,20,21,22);7-8,10,12H,2-6,9,11H2,1H3,(H2,19,25)(H2,20,21,22);2*4,6,8,10H,1-3,5,7,9H2,(H2,21,27)(H2,22,23,24);2*5-6,8,10,14H,1-4,7,9H2,(H2,20,26)(H2,21,22,23);5,7,9,11H,1-4,8,10H2,(H2,19,25)(H2,20,21,22)/t2*12-;4*10-;11-/m0010100/s1.
What are the key properties of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2522.75 g/mol, XLogP of 15.96, 45 rotatable bonds, 21 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(2-cyclopropylacetyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pentanoylpiperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 165084194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).