3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide

C25H39N9O — CID 139311048

About 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide

3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide (PubChem CID 139311048) has the molecular formula C25H39N9O and a molecular weight of 481.65 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide
• PubChem CID: 139311048
• Molecular Formula: C25H39N9O
• Molecular Weight: 481.65 g/mol
• Exact Mass: 481.33
• IUPAC Name: 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide
• SMILES: Cc1nc(N2CCc3c(c(C)nn3CCCCCNC(=O)CCN(C)C)C2)c2c(n1)c(C)nn2C
• InChI: InChI=1S/C25H39N9O/c1-17-20-16-33(25-24-23(27-19(3)28-25)18(2)29-32(24)6)15-10-21(20)34(30-17)13-9-7-8-12-26-22(35)11-14-31(4)5/h7-16H2,1-6H3,(H,26,35)
• InChIKey: OZEMJGHPMPTOPC-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 97.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.65
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide?

The IUPAC name of 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide (CID 139311048) is 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide.

What is the SMILES notation for 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide?

The canonical SMILES for 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide is Cc1nc(N2CCc3c(c(C)nn3CCCCCNC(=O)CCN(C)C)C2)c2c(n1)c(C)nn2C.

What is the InChIKey of 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide?

The InChIKey is OZEMJGHPMPTOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N9O/c1-17-20-16-33(25-24-23(27-19(3)28-25)18(2)29-32(24)6)15-10-21(20)34(30-17)13-9-7-8-12-26-22(35)11-14-31(4)5/h7-16H2,1-6H3,(H,26,35).

What are the key properties of 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide?

3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide has a molecular weight of 481.65 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide is sourced from PubChem (CID 139311048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).