5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid

C61H74N16O10 — CID 158212332

IUPAC5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1C1CC1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)c(O)c2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.O=C(O)c1ccc(C2CC2)c(O)c1
InChIInChI=1S/C25H30N8O3.C15H22N8O.C11H12O3.C10H10O3/c1-14-19(30-25(36)16-7-8-18(15-5-6-15)20(34)10-16)4-3-9-33(14)21-12-27-22(23(26)35)24(31-21)29-17-11-28-32(2)13-17;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-14-10-6-8(11(12)13)4-5-9(10)7-2-3-7;11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h7-8,10-15,19,34H,3-6,9H2,1-2H3,(H2,26,35)(H,29,31)(H,30,36);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);4-7H,2-3H2,1H3,(H,12,13);3-6,11H,1-2H2,(H,12,13)/t14-,19-;9-,11-;;/m11../s1
InChIKeyGCFOZRFVRHHOID-LBFAYWHQSA-N
MW1191.36 g/mol
LogP7.03
Rot. Bonds16

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid (PubChem CID 158212332) has the molecular formula C61H74N16O10 and a molecular weight of 1191.36 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid
PubChem CID158212332
Molecular FormulaC61H74N16O10
Molecular Weight1191.36 g/mol
Exact Mass1190.58
IUPAC Name5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1C1CC1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)c(O)c2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.O=C(O)c1ccc(C2CC2)c(O)c1
InChIInChI=1S/C25H30N8O3.C15H22N8O.C11H12O3.C10H10O3/c1-14-19(30-25(36)16-7-8-18(15-5-6-15)20(34)10-16)4-3-9-33(14)21-12-27-22(23(26)35)24(31-21)29-17-11-28-32(2)13-17;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-14-10-6-8(11(12)13)4-5-9(10)7-2-3-7;11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h7-8,10-15,19,34H,3-6,9H2,1-2H3,(H2,26,35)(H,29,31)(H,30,36);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);4-7H,2-3H2,1H3,(H,12,13);3-6,11H,1-2H2,(H,12,13)/t14-,19-;9-,11-;;/m11../s1
InChIKeyGCFOZRFVRHHOID-LBFAYWHQSA-N
XLogP7.03
TPSA383.33 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001191.36
LogP ≤ 57.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid with MolForge

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Related Compounds

4-[3-[4-Carboxy-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]propyl]-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 167013259
5-[(2R,3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 124109741
5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 124110025
4-Cyclopropylbenzoic acid;5-[5-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 124110165
5-[(2R,3R)-2-methyl-3-[(3-methyl-3,4-dihydro-2H-chromene-7-carbonyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 124110264
5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 145201384
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-tert-butyl-2-fluorobenzoic acid;5-[(2R,3R)-3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 2-amino-4-tert-butylbenzoate;methyl 4-tert-butyl-2-fluorobenzoate
CID 157050386
3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate
CID 158236709
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 158599774
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 159844049
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[4-(2-aminopropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[2-[4-[[(2R,3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]carbamoyl]phenyl]propan-2-yl]carbamate;4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]benzoic acid
CID 160175975
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-3-(2-methylprop-2-enoxy)benzoate;3-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid;5-[(2R,3R)-2-methyl-3-[(3-methyl-3,4-dihydro-2H-chromene-7-carbonyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 3-methyl-3,4-dihydro-2H-chromene-7-carboxylate
CID 160288759

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid?
The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid (CID 158212332) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid.
What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid?
The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1C1CC1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)c(O)c2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.O=C(O)c1ccc(C2CC2)c(O)c1.
What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid?
The InChIKey is GCFOZRFVRHHOID-LBFAYWHQSA-N. The full InChI is InChI=1S/C25H30N8O3.C15H22N8O.C11H12O3.C10H10O3/c1-14-19(30-25(36)16-7-8-18(15-5-6-15)20(34)10-16)4-3-9-33(14)21-12-27-22(23(26)35)24(31-21)29-17-11-28-32(2)13-17;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-14-10-6-8(11(12)13)4-5-9(10)7-2-3-7;11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h7-8,10-15,19,34H,3-6,9H2,1-2H3,(H2,26,35)(H,29,31)(H,30,36);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);4-7H,2-3H2,1H3,(H,12,13);3-6,11H,1-2H2,(H,12,13)/t14-,19-;9-,11-;;/m11../s1.
What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid?
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid has a molecular weight of 1191.36 g/mol, XLogP of 7.03, 16 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-hydroxybenzoic acid;5-[(2R,3R)-3-[(4-cyclopropyl-3-hydroxybenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-cyclopropyl-3-methoxybenzoic acid is sourced from PubChem (CID 158212332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).