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

C26H33N7O2 — CID 155557709

IUPACN-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc3nncn3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C26H33N7O2/c1-17-8-9-21(13-27-17)25(34)29-22-12-24-30-28-16-33(24)23(19(22)3)15-31-10-11-32(18(2)14-31)26(35)20-6-4-5-7-20/h8-9,12-13,16,18,20H,4-7,10-11,14-15H2,1-3H3,(H,29,34)/t18-/m0/s1
InChIKeyGOBGMHFPLDKHRK-SFHVURJKSA-N
MW475.60 g/mol
LogP3.22
Rot. Bonds5

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

N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide (PubChem CID 155557709) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide
PubChem CID155557709
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc3nncn3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C26H33N7O2/c1-17-8-9-21(13-27-17)25(34)29-22-12-24-30-28-16-33(24)23(19(22)3)15-31-10-11-32(18(2)14-31)26(35)20-6-4-5-7-20/h8-9,12-13,16,18,20H,4-7,10-11,14-15H2,1-3H3,(H,29,34)/t18-/m0/s1
InChIKeyGOBGMHFPLDKHRK-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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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide (CID 155557709) is N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc3nncn3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1.
What is the InChIKey of N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is GOBGMHFPLDKHRK-SFHVURJKSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17-8-9-21(13-27-17)25(34)29-22-12-24-30-28-16-33(24)23(19(22)3)15-31-10-11-32(18(2)14-31)26(35)20-6-4-5-7-20/h8-9,12-13,16,18,20H,4-7,10-11,14-15H2,1-3H3,(H,29,34)/t18-/m0/s1.
What are the key properties of N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide?
N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-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-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155557709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).