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

C19H20ClF2N5 — CID 90288329

IUPAC2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESFC1(F)CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
InChIInChI=1S/C19H20ClF2N5/c20-18-3-2-16-17(25-18)10-14(11-23-16)15-12-24-27(13-15)7-1-6-26-8-4-19(21,22)5-9-26/h2-3,10-13H,1,4-9H2
InChIKeyYFJNWHRWBPNIRM-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.27
Rot. Bonds5

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

2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288329) has the molecular formula C19H20ClF2N5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288329
Molecular FormulaC19H20ClF2N5
Molecular Weight391.85 g/mol
Exact Mass391.14
IUPAC Name2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESFC1(F)CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
InChIInChI=1S/C19H20ClF2N5/c20-18-3-2-16-17(25-18)10-14(11-23-16)15-12-24-27(13-15)7-1-6-26-8-4-19(21,22)5-9-26/h2-3,10-13H,1,4-9H2
InChIKeyYFJNWHRWBPNIRM-UHFFFAOYSA-N
XLogP4.27
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.27
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-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90288329) is 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine is FC1(F)CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.
What is the InChIKey of 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is YFJNWHRWBPNIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N5/c20-18-3-2-16-17(25-18)10-14(11-23-16)15-12-24-27(13-15)7-1-6-26-8-4-19(21,22)5-9-26/h2-3,10-13H,1,4-9H2.
What are the key properties of 2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 391.85 g/mol, XLogP of 4.27, 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-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).