(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H39N7O3 — CID 92744260

IUPAC(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1C(=O)c2cc(C(=O)NCCCN3CCN(C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H39N7O3/c1-4-30-22(33)20-16-19(21(32)25-10-7-11-29-14-12-28(3)13-15-29)27-31(20)17-24(30,2)23(34)26-18-8-5-6-9-18/h16,18H,4-15,17H2,1-3H3,(H,25,32)(H,26,34)/t24-/m0/s1
InChIKeyRQRHOSZQDXWHMN-DEOSSOPVSA-N
MW473.62 g/mol
LogP0.54
Rot. Bonds8

About (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744260) has the molecular formula C24H39N7O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744260
Molecular FormulaC24H39N7O3
Molecular Weight473.62 g/mol
Exact Mass473.31
IUPAC Name(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1C(=O)c2cc(C(=O)NCCCN3CCN(C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H39N7O3/c1-4-30-22(33)20-16-19(21(32)25-10-7-11-29-14-12-28(3)13-15-29)27-31(20)17-24(30,2)23(34)26-18-8-5-6-9-18/h16,18H,4-15,17H2,1-3H3,(H,25,32)(H,26,34)/t24-/m0/s1
InChIKeyRQRHOSZQDXWHMN-DEOSSOPVSA-N
XLogP0.54
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723184
(6R)-6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743229
(6S)-6-N-cyclopentyl-6-methyl-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744344
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6S)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743426
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
(6R)-6-N-cyclopentyl-5-ethyl-2-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744289
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278746
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-[2-(4-methylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744485
(6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744206

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744260) is (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1C(=O)c2cc(C(=O)NCCCN3CCN(C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is RQRHOSZQDXWHMN-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H39N7O3/c1-4-30-22(33)20-16-19(21(32)25-10-7-11-29-14-12-28(3)13-15-29)27-31(20)17-24(30,2)23(34)26-18-8-5-6-9-18/h16,18H,4-15,17H2,1-3H3,(H,25,32)(H,26,34)/t24-/m0/s1.
What are the key properties of (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 473.62 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).