2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine

C18H14ClN5 — CID 90289025

IUPAC2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1ncccc1-c1nn(C)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C18H14ClN5/c1-11-13(4-3-7-20-11)18-14(10-24(2)23-18)12-8-16-15(21-9-12)5-6-17(19)22-16/h3-10H,1-2H3
InChIKeyFYVSKXQPTCBCRU-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.05
Rot. Bonds2

About 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289025) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289025
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1ncccc1-c1nn(C)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C18H14ClN5/c1-11-13(4-3-7-20-11)18-14(10-24(2)23-18)12-8-16-15(21-9-12)5-6-17(19)22-16/h3-10H,1-2H3
InChIKeyFYVSKXQPTCBCRU-UHFFFAOYSA-N
XLogP4.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-[1-methyl-3-(5-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
CID 90288857
2-chloro-7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90288377
[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
CID 90288841
2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90289071
3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
CID 90289230
3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine
CID 90289026
2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
CID 90288406
7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289457
2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine
CID 90288731
2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine
CID 162208846
7-(1,3-dimethylpyrazol-4-yl)-N-(1-propan-2-ylimidazol-4-yl)-1,5-naphthyridin-2-amine
CID 90289452
2-chloro-7-[1-[(6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine
CID 118504065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90289025) is 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine is Cc1ncccc1-c1nn(C)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is FYVSKXQPTCBCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-11-13(4-3-7-20-11)18-14(10-24(2)23-18)12-8-16-15(21-9-12)5-6-17(19)22-16/h3-10H,1-2H3.
What are the key properties of 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 335.80 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).