4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C16H20F2N6O2 — CID 155032793

IUPAC4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)NCC(F)F)C1
InChIInChI=1S/C16H20F2N6O2/c17-12(18)7-22-16(26)9-2-1-5-24(8-9)23-13-10-3-4-20-15(10)21-6-11(13)14(19)25/h3-4,6,9,12H,1-2,5,7-8H2,(H2,19,25)(H,22,26)(H2,20,21,23)/t9-/m1/s1
InChIKeyWOWPHKPPVWFLPO-SECBINFHSA-N
MW366.37 g/mol
LogP1.08
Rot. Bonds6

About 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155032793) has the molecular formula C16H20F2N6O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155032793
Molecular FormulaC16H20F2N6O2
Molecular Weight366.37 g/mol
Exact Mass366.16
IUPAC Name4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)NCC(F)F)C1
InChIInChI=1S/C16H20F2N6O2/c17-12(18)7-22-16(26)9-2-1-5-24(8-9)23-13-10-3-4-20-15(10)21-6-11(13)14(19)25/h3-4,6,9,12H,1-2,5,7-8H2,(H2,19,25)(H,22,26)(H2,20,21,23)/t9-/m1/s1
InChIKeyWOWPHKPPVWFLPO-SECBINFHSA-N
XLogP1.08
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032790
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-[[(4S)-4-(2,2,2-trifluoroethylcarbamoyl)azepan-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032831
N-(2,2-difluoroethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide
CID 122432276
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
4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032652
4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277160
4-[[(1R,3R)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291955
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155032793) is 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@@H](C(=O)NCC(F)F)C1.
What is the InChIKey of 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is WOWPHKPPVWFLPO-SECBINFHSA-N. The full InChI is InChI=1S/C16H20F2N6O2/c17-12(18)7-22-16(26)9-2-1-5-24(8-9)23-13-10-3-4-20-15(10)21-6-11(13)14(19)25/h3-4,6,9,12H,1-2,5,7-8H2,(H2,19,25)(H,22,26)(H2,20,21,23)/t9-/m1/s1.
What are the key properties of 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155032793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).