N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide

C26H33N7O2 — CID 155563358

IUPACN-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C26H33N7O2/c1-17-8-9-21(12-27-17)25(34)30-23-15-33-24(28-16-29-33)22(19(23)3)14-31-10-11-32(18(2)13-31)26(35)20-6-4-5-7-20/h8-9,12,15-16,18,20H,4-7,10-11,13-14H2,1-3H3,(H,30,34)/t18-/m0/s1
InChIKeyKHXPWIFOWQUCCP-SFHVURJKSA-N
MW475.60 g/mol
LogP3.22
Rot. Bonds5

About N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide

N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide (PubChem CID 155563358) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide
PubChem CID155563358
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C26H33N7O2/c1-17-8-9-21(12-27-17)25(34)30-23-15-33-24(28-16-29-33)22(19(23)3)14-31-10-11-32(18(2)13-31)26(35)20-6-4-5-7-20/h8-9,12,15-16,18,20H,4-7,10-11,13-14H2,1-3H3,(H,30,34)/t18-/m0/s1
InChIKeyKHXPWIFOWQUCCP-SFHVURJKSA-N
XLogP3.22
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 90205327
N-[5-chloro-2-methyl-3-[[(3S)-3-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 118550238
5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 140797070
N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90205340
cyclopentyl 4-[[5-cyano-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 118542403
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 90209437
N-[3-[[(3S)-4-benzoyl-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90204353
6-methyl-N-[7-methyl-8-[(2S,4S)-2-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperidin-4-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
CID 146673074
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 90204623
4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 129072146
(2S)-4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 118542405
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 118452267

Frequently Asked Questions

What is the IUPAC name of N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide (CID 155563358) is N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1.
What is the InChIKey of N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is KHXPWIFOWQUCCP-SFHVURJKSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17-8-9-21(12-27-17)25(34)30-23-15-33-24(28-16-29-33)22(19(23)3)14-31-10-11-32(18(2)13-31)26(35)20-6-4-5-7-20/h8-9,12,15-16,18,20H,4-7,10-11,13-14H2,1-3H3,(H,30,34)/t18-/m0/s1.
What are the key properties of N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide?
N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155563358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).