N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H37N7O2 — CID 91358829

IUPACN-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=NC=CC=C(C)CNc1ccn2ncc(C(=O)NC3CCC(C(=O)NC4CCCCC4)CC3)c2n1
InChIInChI=1S/C27H37N7O2/c1-19(7-6-15-28-2)17-29-24-14-16-34-25(33-24)23(18-30-34)27(36)32-22-12-10-20(11-13-22)26(35)31-21-8-4-3-5-9-21/h6-7,14-16,18,20-22H,2-5,8-13,17H2,1H3,(H,29,33)(H,31,35)(H,32,36)
InChIKeyVQSWHUJYGZSGNX-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.04
Rot. Bonds9

About N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91358829) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91358829
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC NameN-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=NC=CC=C(C)CNc1ccn2ncc(C(=O)NC3CCC(C(=O)NC4CCCCC4)CC3)c2n1
InChIInChI=1S/C27H37N7O2/c1-19(7-6-15-28-2)17-29-24-14-16-34-25(33-24)23(18-30-34)27(36)32-22-12-10-20(11-13-22)26(35)31-21-8-4-3-5-9-21/h6-7,14-16,18,20-22H,2-5,8-13,17H2,1H3,(H,29,33)(H,31,35)(H,32,36)
InChIKeyVQSWHUJYGZSGNX-UHFFFAOYSA-N
XLogP4.04
TPSA112.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413
methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032
N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063059
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
N-(4,4-difluorocyclohexyl)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162543572
4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 123188164
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063469

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91358829) is N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=NC=CC=C(C)CNc1ccn2ncc(C(=O)NC3CCC(C(=O)NC4CCCCC4)CC3)c2n1.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VQSWHUJYGZSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-19(7-6-15-28-2)17-29-24-14-16-34-25(33-24)23(18-30-34)27(36)32-22-12-10-20(11-13-22)26(35)31-21-8-4-3-5-9-21/h6-7,14-16,18,20-22H,2-5,8-13,17H2,1H3,(H,29,33)(H,31,35)(H,32,36).
What are the key properties of N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91358829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).