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

C16H10ClN5 — CID 90288406

IUPAC2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(-c4cccnc4)c3)cc2n1
InChIInChI=1S/C16H10ClN5/c17-16-4-3-14-15(21-16)6-11(7-19-14)12-8-20-22(10-12)13-2-1-5-18-9-13/h1-10H
InChIKeySDQMNVAMPGWBQD-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.53
Rot. Bonds2

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

2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 90288406) has the molecular formula C16H10ClN5 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
PubChem CID90288406
Molecular FormulaC16H10ClN5
Molecular Weight307.74 g/mol
Exact Mass307.06
IUPAC Name2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(-c4cccnc4)c3)cc2n1
InChIInChI=1S/C16H10ClN5/c17-16-4-3-14-15(21-16)6-11(7-19-14)12-8-20-22(10-12)13-2-1-5-18-9-13/h1-10H
InChIKeySDQMNVAMPGWBQD-UHFFFAOYSA-N
XLogP3.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.53
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-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine (CID 90288406) is 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine is Clc1ccc2ncc(-c3cnn(-c4cccnc4)c3)cc2n1.
What is the InChIKey of 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is SDQMNVAMPGWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5/c17-16-4-3-14-15(21-16)6-11(7-19-14)12-8-20-22(10-12)13-2-1-5-18-9-13/h1-10H.
What are the key properties of 2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 307.74 g/mol, XLogP of 3.53, 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-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 90288406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).