N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H31N5O3 — CID 50756624

IUPACN-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1
InChIInChI=1S/C27H31N5O3/c1-27(26(34)29-20-8-4-3-5-9-20)18-32-24(25(33)31(27)17-21-10-6-7-15-28-21)16-23(30-32)19-11-13-22(35-2)14-12-19/h6-7,10-16,20H,3-5,8-9,17-18H2,1-2H3,(H,29,34)
InChIKeyDPXLJHCADZUQMT-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.82
Rot. Bonds6

About N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756624) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756624
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1
InChIInChI=1S/C27H31N5O3/c1-27(26(34)29-20-8-4-3-5-9-20)18-32-24(25(33)31(27)17-21-10-6-7-15-28-21)16-23(30-32)19-11-13-22(35-2)14-12-19/h6-7,10-16,20H,3-5,8-9,17-18H2,1-2H3,(H,29,34)
InChIKeyDPXLJHCADZUQMT-UHFFFAOYSA-N
XLogP3.82
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756624) is N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is DPXLJHCADZUQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-27(26(34)29-20-8-4-3-5-9-20)18-32-24(25(33)31(27)17-21-10-6-7-15-28-21)16-23(30-32)19-11-13-22(35-2)14-12-19/h6-7,10-16,20H,3-5,8-9,17-18H2,1-2H3,(H,29,34).
What are the key properties of N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).