7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline

C22H19N5 — CID 162502519

IUPAC7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
SMILES[C-]#[N+]c1ccc(-c2cnn(CC(C)C)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C22H19N5/c1-15(2)13-27-14-18(12-25-27)19-8-9-21(23-3)26-22(19)17-7-6-16-5-4-10-24-20(16)11-17/h4-12,14-15H,13H2,1-2H3
InChIKeyBYVMXCVGEPIYPQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.37
Rot. Bonds4

About 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline

7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline (PubChem CID 162502519) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
PubChem CID162502519
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
SMILES[C-]#[N+]c1ccc(-c2cnn(CC(C)C)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C22H19N5/c1-15(2)13-27-14-18(12-25-27)19-8-9-21(23-3)26-22(19)17-7-6-16-5-4-10-24-20(16)11-17/h4-12,14-15H,13H2,1-2H3
InChIKeyBYVMXCVGEPIYPQ-UHFFFAOYSA-N
XLogP5.37
TPSA47.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-4-[4-(6-isocyano-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 162502564
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
7-[3-[5-fluoro-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]quinoline
CID 162502545
7-[3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137372448
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
CID 137373638
7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine
CID 162491029
7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline
CID 162502529
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083
5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 137373540
7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502557
4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
CID 95732733

Frequently Asked Questions

What is the IUPAC name of 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
The IUPAC name of 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline (CID 162502519) is 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline is [C-]#[N+]c1ccc(-c2cnn(CC(C)C)c2)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
The InChIKey is BYVMXCVGEPIYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-15(2)13-27-14-18(12-25-27)19-8-9-21(23-3)26-22(19)17-7-6-16-5-4-10-24-20(16)11-17/h4-12,14-15H,13H2,1-2H3.
What are the key properties of 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline has a molecular weight of 353.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 162502519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).