N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C26H31N9O2 — CID 170634363

IUPACN-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
InChIInChI=1S/C26H31N9O2/c1-16-6-5-7-17(2)35(16)15-24(36)29-21-11-22(18(3)27-13-21)30-26(37)25-32-31-23-10-19(8-9-34(23)25)20-12-28-33(4)14-20/h8-14,16-17H,5-7,15H2,1-4H3,(H,29,36)(H,30,37)/t16-,17+
InChIKeyXSEHLGHGSPRESJ-CALCHBBNSA-N
MW501.60 g/mol
LogP3.29
Rot. Bonds6

About N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634363) has the molecular formula C26H31N9O2 and a molecular weight of 501.60 g/mol. Its IUPAC name is N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID170634363
Molecular FormulaC26H31N9O2
Molecular Weight501.60 g/mol
Exact Mass501.26
IUPAC NameN-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
InChIInChI=1S/C26H31N9O2/c1-16-6-5-7-17(2)35(16)15-24(36)29-21-11-22(18(3)27-13-21)30-26(37)25-32-31-23-10-19(8-9-34(23)25)20-12-28-33(4)14-20/h8-14,16-17H,5-7,15H2,1-4H3,(H,29,36)(H,30,37)/t16-,17+
InChIKeyXSEHLGHGSPRESJ-CALCHBBNSA-N
XLogP3.29
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634188
N-[5-[3-(2-azabicyclo[2.2.2]octan-2-yl)propanoylamino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170633806
N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634325
N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634301
N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634305
N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634193
7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634396
N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634077
N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634422
N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634380
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634973
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547372

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634363) is N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12.
What is the InChIKey of N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is XSEHLGHGSPRESJ-CALCHBBNSA-N. The full InChI is InChI=1S/C26H31N9O2/c1-16-6-5-7-17(2)35(16)15-24(36)29-21-11-22(18(3)27-13-21)30-26(37)25-32-31-23-10-19(8-9-34(23)25)20-12-28-33(4)14-20/h8-14,16-17H,5-7,15H2,1-4H3,(H,29,36)(H,30,37)/t16-,17+.
What are the key properties of N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 501.60 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).