7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide

C24H31N5O — CID 135254338

IUPAC7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide
SMILESC=N/C(=C\c1cc(-c2cnn(C)c2)ccc1C)NC(=O)C1CC2(CCN(C)CC2)C1
InChIInChI=1S/C24H31N5O/c1-17-5-6-18(21-15-26-29(4)16-21)11-19(17)12-22(25-2)27-23(30)20-13-24(14-20)7-9-28(3)10-8-24/h5-6,11-12,15-16,20H,2,7-10,13-14H2,1,3-4H3,(H,27,30)/b22-12+
InChIKeyJVKDZHCKUBLKKJ-WSDLNYQXSA-N
MW405.55 g/mol
LogP3.63
Rot. Bonds5

About 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide

7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 135254338) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide
PubChem CID135254338
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide
SMILESC=N/C(=C\c1cc(-c2cnn(C)c2)ccc1C)NC(=O)C1CC2(CCN(C)CC2)C1
InChIInChI=1S/C24H31N5O/c1-17-5-6-18(21-15-26-29(4)16-21)11-19(17)12-22(25-2)27-23(30)20-13-24(14-20)7-9-28(3)10-8-24/h5-6,11-12,15-16,20H,2,7-10,13-14H2,1,3-4H3,(H,27,30)/b22-12+
InChIKeyJVKDZHCKUBLKKJ-WSDLNYQXSA-N
XLogP3.63
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-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-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptane-6-carboxamide
CID 135254256
2-(2-fluoroethyl)-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 135254261
methyl 2-[4-[[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]carbamoyl]piperidin-1-yl]acetate
CID 135254267
2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide
CID 139362993
N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide
CID 138606101
2,2,2-trifluoro-1-[6-[2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 162225541
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147553586
2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146095809
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
N-[(Z)-1-(methylideneamino)-2-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]ethenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138605107

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide (CID 135254338) is 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide is C=N/C(=C\c1cc(-c2cnn(C)c2)ccc1C)NC(=O)C1CC2(CCN(C)CC2)C1.
What is the InChIKey of 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is JVKDZHCKUBLKKJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H31N5O/c1-17-5-6-18(21-15-26-29(4)16-21)11-19(17)12-22(25-2)27-23(30)20-13-24(14-20)7-9-28(3)10-8-24/h5-6,11-12,15-16,20H,2,7-10,13-14H2,1,3-4H3,(H,27,30)/b22-12+.
What are the key properties of 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide?
7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-7-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 135254338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).