7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline

C24H22N6O — CID 162502529

IUPAC7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline
SMILES[C-]#[N+]c1ccc(-c2cnn(CC3CC3(C)C)c2)c(-c2ccc3cc(OC)nnc3c2)n1
InChIInChI=1S/C24H22N6O/c1-24(2)11-18(24)14-30-13-17(12-26-30)19-7-8-21(25-3)27-23(19)16-6-5-15-10-22(31-4)29-28-20(15)9-16/h5-10,12-13,18H,11,14H2,1-2,4H3
InChIKeyKVIRKGLQDRWGCF-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.16
Rot. Bonds5

About 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline

7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline (PubChem CID 162502529) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline.

Molecular Properties

Compound Name7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline
PubChem CID162502529
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline
SMILES[C-]#[N+]c1ccc(-c2cnn(CC3CC3(C)C)c2)c(-c2ccc3cc(OC)nnc3c2)n1
InChIInChI=1S/C24H22N6O/c1-24(2)11-18(24)14-30-13-17(12-26-30)19-7-8-21(25-3)27-23(19)16-6-5-15-10-22(31-4)29-28-20(15)9-16/h5-10,12-13,18H,11,14H2,1-2,4H3
InChIKeyKVIRKGLQDRWGCF-UHFFFAOYSA-N
XLogP5.16
TPSA70.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline 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

7-[6-isocyano-3-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-5-methyl-2-pyridinyl]-3-methoxycinnoline
CID 162502525
3-methoxy-7-[6-methyl-3-[1-[2-(oxolan-3-yl)ethyl]pyrazol-4-yl]-2-pyridinyl]cinnoline
CID 151659080
7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502519
6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile
CID 151796981
3,3-difluoro-4-[4-(6-isocyano-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 162502564
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083
7-[3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137372448
7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine
CID 162491029
7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
CID 137373638
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline?
The IUPAC name of 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline (CID 162502529) is 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline.
What is the SMILES notation for 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline?
The canonical SMILES for 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline is [C-]#[N+]c1ccc(-c2cnn(CC3CC3(C)C)c2)c(-c2ccc3cc(OC)nnc3c2)n1.
What is the InChIKey of 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline?
The InChIKey is KVIRKGLQDRWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-24(2)11-18(24)14-30-13-17(12-26-30)19-7-8-21(25-3)27-23(19)16-6-5-15-10-22(31-4)29-28-20(15)9-16/h5-10,12-13,18H,11,14H2,1-2,4H3.
What are the key properties of 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline?
7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline has a molecular weight of 410.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline is sourced from PubChem (CID 162502529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).