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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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).