2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol

C29H26ClFN6O — CID 53345299

IUPAC2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C29H26ClFN6O/c30-22-3-4-27(31)26(13-22)28-14-25(24-2-1-7-33-29(24)35-28)20-12-19(15-32-16-20)21-17-34-37(18-21)23-5-8-36(9-6-23)10-11-38/h1-4,7,12-18,23,38H,5-6,8-11H2
InChIKeyAARIMMNZHRRLRM-UHFFFAOYSA-N
MW529.02 g/mol
LogP5.64
Rot. Bonds6

About 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol

2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 53345299) has the molecular formula C29H26ClFN6O and a molecular weight of 529.02 g/mol. Its IUPAC name is 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID53345299
Molecular FormulaC29H26ClFN6O
Molecular Weight529.02 g/mol
Exact Mass528.18
IUPAC Name2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C29H26ClFN6O/c30-22-3-4-27(31)26(13-22)28-14-25(24-2-1-7-33-29(24)35-28)20-12-19(15-32-16-20)21-17-34-37(18-21)23-5-8-36(9-6-23)10-11-38/h1-4,7,12-18,23,38H,5-6,8-11H2
InChIKeyAARIMMNZHRRLRM-UHFFFAOYSA-N
XLogP5.64
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.02
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol (CID 53345299) is 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol is OCCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1.
What is the InChIKey of 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is AARIMMNZHRRLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN6O/c30-22-3-4-27(31)26(13-22)28-14-25(24-2-1-7-33-29(24)35-28)20-12-19(15-32-16-20)21-17-34-37(18-21)23-5-8-36(9-6-23)10-11-38/h1-4,7,12-18,23,38H,5-6,8-11H2.
What are the key properties of 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 529.02 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 53345299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).