4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid

C27H35F2N9O3 — CID 156562774

IUPAC4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid
SMILESCC1CC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)(C)CN)c5)n4)c(C(F)F)n3)C2)CCN1C(=O)O
InChIInChI=1S/C27H35F2N9O3/c1-16-9-18(7-8-36(16)26(40)41)35-12-19(13-35)37-14-22(23(34-37)24(28)29)33-25(39)21-6-4-5-20(32-21)17-10-31-38(11-17)27(2,3)15-30/h4-6,10-11,14,16,18-19,24H,7-9,12-13,15,30H2,1-3H3,(H,33,39)(H,40,41)
InChIKeyGTTUSTIESANAPS-UHFFFAOYSA-N
MW571.63 g/mol
LogP3.41
Rot. Bonds8

About 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid

4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid (PubChem CID 156562774) has the molecular formula C27H35F2N9O3 and a molecular weight of 571.63 g/mol. Its IUPAC name is 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid
PubChem CID156562774
Molecular FormulaC27H35F2N9O3
Molecular Weight571.63 g/mol
Exact Mass571.28
IUPAC Name4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid
SMILESCC1CC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)(C)CN)c5)n4)c(C(F)F)n3)C2)CCN1C(=O)O
InChIInChI=1S/C27H35F2N9O3/c1-16-9-18(7-8-36(16)26(40)41)35-12-19(13-35)37-14-22(23(34-37)24(28)29)33-25(39)21-6-4-5-20(32-21)17-10-31-38(11-17)27(2,3)15-30/h4-6,10-11,14,16,18-19,24H,7-9,12-13,15,30H2,1-3H3,(H,33,39)(H,40,41)
InChIKeyGTTUSTIESANAPS-UHFFFAOYSA-N
XLogP3.41
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.63
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid with MolForge

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Related Compounds

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146424772
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146437628
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]pyridine-2-carboxamide
CID 146437520
N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide
CID 171904150
4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 122445367
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 155449126
ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129744
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129757
1-[4-[3-[3-(difluoromethyl)-4-[[hydroxy-[6-(1H-pyrazol-5-yl)-2-pyridinyl]methyl]amino]pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
CID 146437514
3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170173648
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523603
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138727494

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid (CID 156562774) is 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid is CC1CC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)(C)CN)c5)n4)c(C(F)F)n3)C2)CCN1C(=O)O.
What is the InChIKey of 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid?
The InChIKey is GTTUSTIESANAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N9O3/c1-16-9-18(7-8-36(16)26(40)41)35-12-19(13-35)37-14-22(23(34-37)24(28)29)33-25(39)21-6-4-5-20(32-21)17-10-31-38(11-17)27(2,3)15-30/h4-6,10-11,14,16,18-19,24H,7-9,12-13,15,30H2,1-3H3,(H,33,39)(H,40,41).
What are the key properties of 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid?
4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid has a molecular weight of 571.63 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 156562774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).