1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

C22H25ClFN5O2 — CID 46846386

IUPAC1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cnc(CO)c(Cl)c2)CC1
InChIInChI=1S/C22H25ClFN5O2/c23-18-9-15(12-26-20(18)14-30)11-25-17-3-5-28(6-4-17)7-8-29-21-10-16(24)13-27-19(21)1-2-22(29)31/h1-2,9-10,12-13,17,25,30H,3-8,11,14H2
InChIKeyJGHSRCGRGHPLJC-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.33
Rot. Bonds7

About 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 46846386) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID46846386
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cnc(CO)c(Cl)c2)CC1
InChIInChI=1S/C22H25ClFN5O2/c23-18-9-15(12-26-20(18)14-30)11-25-17-3-5-28(6-4-17)7-8-29-21-10-16(24)13-27-19(21)1-2-22(29)31/h1-2,9-10,12-13,17,25,30H,3-8,11,14H2
InChIKeyJGHSRCGRGHPLJC-UHFFFAOYSA-N
XLogP2.33
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one 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 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 46846386) is 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cnc(CO)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is JGHSRCGRGHPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c23-18-9-15(12-26-20(18)14-30)11-25-17-3-5-28(6-4-17)7-8-29-21-10-16(24)13-27-19(21)1-2-22(29)31/h1-2,9-10,12-13,17,25,30H,3-8,11,14H2.
What are the key properties of 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 445.93 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 46846386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).