(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

About (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

(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 (PubChem CID 92723184) has the molecular formula C25H41N7O3 and a molecular weight of 487.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name	(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
PubChem CID	92723184
Molecular Formula	C25H41N7O3
Molecular Weight	487.65 g/mol
Exact Mass	487.33
IUPAC Name	(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
SMILES	CN1CCN(CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1
InChI	InChI=1S/C25H41N7O3/c1-25(24(35)27-19-9-6-4-5-7-10-19)18-32-21(23(34)30(25)3)17-20(28-32)22(33)26-11-8-12-31-15-13-29(2)14-16-31/h17,19H,4-16,18H2,1-3H3,(H,26,33)(H,27,35)/t25-/m1/s1
InChIKey	UPBRWVWOYSZSDH-RUZDIDTESA-N
XLogP	0.93
TPSA	102.81 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CN1CCN(CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1.

What is the InChIKey of (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?

The InChIKey is UPBRWVWOYSZSDH-RUZDIDTESA-N. The full InChI is InChI=1S/C25H41N7O3/c1-25(24(35)27-19-9-6-4-5-7-10-19)18-32-21(23(34)30(25)3)17-20(28-32)22(33)26-11-8-12-31-15-13-29(2)14-16-31/h17,19H,4-16,18H2,1-3H3,(H,26,33)(H,27,35)/t25-/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 487.65 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 92723184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).