1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane

About 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane

1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane (PubChem CID 161418209) has the molecular formula C27H39N5O3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane.

Molecular Properties

Compound Name	1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane
PubChem CID	161418209
Molecular Formula	C27H39N5O3
Molecular Weight	481.64 g/mol
Exact Mass	481.31
IUPAC Name	1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane
SMILES	C.COCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCCC4)c23)C[C@@H]1C
InChI	InChI=1S/C26H35N5O3.CH4/c1-17-13-23-21(24-22(25(32)28-23)15-27-31(24)19-7-4-5-8-19)14-20(17)26(33)30-11-10-29(18(2)16-30)9-6-12-34-3;/h13-15,18-19H,4-12,16H2,1-3H3,(H,28,32);1H4/t18-;/m0./s1
InChIKey	VWJKSNQPMUURMM-FERBBOLQSA-N
XLogP	4.12
TPSA	83.46 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane?

The IUPAC name of 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane (CID 161418209) is 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane.

What is the SMILES notation for 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane?

The canonical SMILES for 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane is C.COCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCCC4)c23)C[C@@H]1C.

What is the InChIKey of 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane?

The InChIKey is VWJKSNQPMUURMM-FERBBOLQSA-N. The full InChI is InChI=1S/C26H35N5O3.CH4/c1-17-13-23-21(24-22(25(32)28-23)15-27-31(24)19-7-4-5-8-19)14-20(17)26(33)30-11-10-29(18(2)16-30)9-6-12-34-3;/h13-15,18-19H,4-12,16H2,1-3H3,(H,28,32);1H4/t18-;/m0./s1.

What are the key properties of 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane?

1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane has a molecular weight of 481.64 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane is sourced from PubChem (CID 161418209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).