2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine

C17H14ClN5 — CID 90288731

IUPAC2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine
SMILESCN1NCC(c2cnc3ccc(Cl)nc3c2)=C1c1cccnc1
InChIInChI=1S/C17H14ClN5/c1-23-17(11-3-2-6-19-8-11)13(10-21-23)12-7-15-14(20-9-12)4-5-16(18)22-15/h2-9,21H,10H2,1H3
InChIKeyCZCWDIASJPWOQB-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine

2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine (PubChem CID 90288731) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine
PubChem CID90288731
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine
SMILESCN1NCC(c2cnc3ccc(Cl)nc3c2)=C1c1cccnc1
InChIInChI=1S/C17H14ClN5/c1-23-17(11-3-2-6-19-8-11)13(10-21-23)12-7-15-14(20-9-12)4-5-16(18)22-15/h2-9,21H,10H2,1H3
InChIKeyCZCWDIASJPWOQB-UHFFFAOYSA-N
XLogP3.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

RepSox
CID 449054
2-(3-Pyridin-2-yl-1H-pyrazol-4-yl)-1,5-naphthyridine
CID 9925495
N-(Tert-butyl)-2-(pyridin-4-YL)-1,7-naphthyridin-4-amine
CID 135390225
Naphthyridine Inhibitor
CID 5287512
3-(8-Pyridin-4-yl-1,5-naphthyridin-2-yl)aniline
CID 145961077
6-chloro-N-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162643131
6-chloro-N-[4-[4-[(4-methylpiperazin-1-yl)methyl]triazol-1-yl]butyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162648054
6-chloro-N-[4-[4-(piperidin-1-ylmethyl)triazol-1-yl]butyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162648583
N-Acridin-9-yl-N'-(3,5-dichloro-pyridin-4-yl)-hydrazine
CID 6426453
4-(3-(5-chloropyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11055906
US11458138, Example 266
CID 135368292
US11458138, Example 264
CID 135368333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine (CID 90288731) is 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine is CN1NCC(c2cnc3ccc(Cl)nc3c2)=C1c1cccnc1.
What is the InChIKey of 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is CZCWDIASJPWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-23-17(11-3-2-6-19-8-11)13(10-21-23)12-7-15-14(20-9-12)4-5-16(18)22-15/h2-9,21H,10H2,1H3.
What are the key properties of 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine?
2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 323.79 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2-methyl-3-pyridin-3-yl-1,5-dihydropyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 90288731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).