N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C25H31F2N9 — CID 130282348

About N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 130282348) has the molecular formula C25H31F2N9 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 130282348
• Molecular Formula: C25H31F2N9
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.27
• IUPAC Name: N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
• SMILES: Cc1c(F)cc(CN(Cc2cc3c(C)nn(C)c3nc2NCC2CCCC2)c2nnn(C)n2)cc1F
• InChI: InChI=1S/C25H31F2N9/c1-15-21(26)9-18(10-22(15)27)13-36(25-30-33-35(4)32-25)14-19-11-20-16(2)31-34(3)24(20)29-23(19)28-12-17-7-5-6-8-17/h9-11,17H,5-8,12-14H2,1-4H3,(H,28,29)
• InChIKey: ARRSLQQDBXIWNI-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The IUPAC name of N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 130282348) is N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1c(F)cc(CN(Cc2cc3c(C)nn(C)c3nc2NCC2CCCC2)c2nnn(C)n2)cc1F.

What is the InChIKey of N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is ARRSLQQDBXIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N9/c1-15-21(26)9-18(10-22(15)27)13-36(25-30-33-35(4)32-25)14-19-11-20-16(2)31-34(3)24(20)29-23(19)28-12-17-7-5-6-8-17/h9-11,17H,5-8,12-14H2,1-4H3,(H,28,29).

What are the key properties of N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 495.58 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylmethyl)-5-[[(3,5-difluoro-4-methylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 130282348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).