2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole

C33H44F2N8O2 — CID 171510541

IUPAC2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole
SMILESCC1(NCc2cc(C(C)(F)F)c3cn(-c4cccc(NC5CCCC5)n4)c(=O)n3c2)CCC1.COC1CC(c2nncn2C)C1
InChIInChI=1S/C25H31F2N5O.C8H13N3O/c1-24(11-6-12-24)28-14-17-13-19(25(2,26)27)20-16-32(23(33)31(20)15-17)22-10-5-9-21(30-22)29-18-7-3-4-8-18;1-11-5-9-10-8(11)6-3-7(4-6)12-2/h5,9-10,13,15-16,18,28H,3-4,6-8,11-12,14H2,1-2H3,(H,29,30);5-7H,3-4H2,1-2H3
InChIKeyVZPKMAAKIGSKOJ-UHFFFAOYSA-N
MW622.77 g/mol
LogP5.69
Rot. Bonds9

About 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole

2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole (PubChem CID 171510541) has the molecular formula C33H44F2N8O2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole
PubChem CID171510541
Molecular FormulaC33H44F2N8O2
Molecular Weight622.77 g/mol
Exact Mass622.36
IUPAC Name2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole
SMILESCC1(NCc2cc(C(C)(F)F)c3cn(-c4cccc(NC5CCCC5)n4)c(=O)n3c2)CCC1.COC1CC(c2nncn2C)C1
InChIInChI=1S/C25H31F2N5O.C8H13N3O/c1-24(11-6-12-24)28-14-17-13-19(25(2,26)27)20-16-32(23(33)31(20)15-17)22-10-5-9-21(30-22)29-18-7-3-4-8-18;1-11-5-9-10-8(11)6-3-7(4-6)12-2/h5,9-10,13,15-16,18,28H,3-4,6-8,11-12,14H2,1-2H3,(H,29,30);5-7H,3-4H2,1-2H3
InChIKeyVZPKMAAKIGSKOJ-UHFFFAOYSA-N
XLogP5.69
TPSA103.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole (CID 171510541) is 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole is CC1(NCc2cc(C(C)(F)F)c3cn(-c4cccc(NC5CCCC5)n4)c(=O)n3c2)CCC1.COC1CC(c2nncn2C)C1.
What is the InChIKey of 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole?
The InChIKey is VZPKMAAKIGSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O.C8H13N3O/c1-24(11-6-12-24)28-14-17-13-19(25(2,26)27)20-16-32(23(33)31(20)15-17)22-10-5-9-21(30-22)29-18-7-3-4-8-18;1-11-5-9-10-8(11)6-3-7(4-6)12-2/h5,9-10,13,15-16,18,28H,3-4,6-8,11-12,14H2,1-2H3,(H,29,30);5-7H,3-4H2,1-2H3.
What are the key properties of 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole?
2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole has a molecular weight of 622.77 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylamino)-2-pyridinyl]-8-(1,1-difluoroethyl)-6-[[(1-methylcyclobutyl)amino]methyl]imidazo[1,5-a]pyridin-3-one;3-(3-methoxycyclobutyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 171510541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).