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

C19H21ClFN5 — CID 90288298

IUPAC2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESFC1CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
InChIInChI=1S/C19H21ClFN5/c20-19-3-2-17-18(24-19)10-14(11-22-17)15-12-23-26(13-15)7-1-6-25-8-4-16(21)5-9-25/h2-3,10-13,16H,1,4-9H2
InChIKeyNYVUPOQEKMSNBL-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.97
Rot. Bonds5

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

2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288298) has the molecular formula C19H21ClFN5 and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288298
Molecular FormulaC19H21ClFN5
Molecular Weight373.86 g/mol
Exact Mass373.15
IUPAC Name2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESFC1CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
InChIInChI=1S/C19H21ClFN5/c20-19-3-2-17-18(24-19)10-14(11-22-17)15-12-23-26(13-15)7-1-6-25-8-4-16(21)5-9-25/h2-3,10-13,16H,1,4-9H2
InChIKeyNYVUPOQEKMSNBL-UHFFFAOYSA-N
XLogP3.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.97
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-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90288298) is 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine is FC1CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.
What is the InChIKey of 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is NYVUPOQEKMSNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5/c20-19-3-2-17-18(24-19)10-14(11-22-17)15-12-23-26(13-15)7-1-6-25-8-4-16(21)5-9-25/h2-3,10-13,16H,1,4-9H2.
What are the key properties of 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 373.86 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).