N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H34N8O3 — CID 50758547

IUPACN-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C25H34N8O3/c1-25(23(36)28-18-8-5-3-4-6-9-18)17-33-20(22(35)30(25)2)16-19(29-33)21(34)31-12-14-32(15-13-31)24-26-10-7-11-27-24/h7,10-11,16,18H,3-6,8-9,12-15,17H2,1-2H3,(H,28,36)
InChIKeyFMEZHIKNPHZQDL-UHFFFAOYSA-N
MW494.60 g/mol
LogP1.32
Rot. Bonds4

About N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50758547) has the molecular formula C25H34N8O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50758547
Molecular FormulaC25H34N8O3
Molecular Weight494.60 g/mol
Exact Mass494.28
IUPAC NameN-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C25H34N8O3/c1-25(23(36)28-18-8-5-3-4-6-9-18)17-33-20(22(35)30(25)2)16-19(29-33)21(34)31-12-14-32(15-13-31)24-26-10-7-11-27-24/h7,10-11,16,18H,3-6,8-9,12-15,17H2,1-2H3,(H,28,36)
InChIKeyFMEZHIKNPHZQDL-UHFFFAOYSA-N
XLogP1.32
TPSA116.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50758547) is N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2CC1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FMEZHIKNPHZQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O3/c1-25(23(36)28-18-8-5-3-4-6-9-18)17-33-20(22(35)30(25)2)16-19(29-33)21(34)31-12-14-32(15-13-31)24-26-10-7-11-27-24/h7,10-11,16,18H,3-6,8-9,12-15,17H2,1-2H3,(H,28,36).
What are the key properties of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50758547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).