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

C28H33N5O3 — CID 50756690

IUPACN-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1
InChIInChI=1S/C28H33N5O3/c1-3-36-23-14-12-20(13-15-23)24-17-25-26(34)32(18-22-11-7-8-16-29-22)28(2,19-33(25)31-24)27(35)30-21-9-5-4-6-10-21/h7-8,11-17,21H,3-6,9-10,18-19H2,1-2H3,(H,30,35)
InChIKeyABZDMSYYSNSIAV-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.21
Rot. Bonds7

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

N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756690) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756690
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC NameN-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1
InChIInChI=1S/C28H33N5O3/c1-3-36-23-14-12-20(13-15-23)24-17-25-26(34)32(18-22-11-7-8-16-29-22)28(2,19-33(25)31-24)27(35)30-21-9-5-4-6-10-21/h7-8,11-17,21H,3-6,9-10,18-19H2,1-2H3,(H,30,35)
InChIKeyABZDMSYYSNSIAV-UHFFFAOYSA-N
XLogP4.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.21
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-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756690) is N-cyclohexyl-2-(4-ethoxyphenyl)-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-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is ABZDMSYYSNSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-3-36-23-14-12-20(13-15-23)24-17-25-26(34)32(18-22-11-7-8-16-29-22)28(2,19-33(25)31-24)27(35)30-21-9-5-4-6-10-21/h7-8,11-17,21H,3-6,9-10,18-19H2,1-2H3,(H,30,35).
What are the key properties of N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethoxyphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).