7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C23H26ClN5O2S — CID 24890653

IUPAC7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NCc4cnc5c(c4)SCO5)CC3)c21
InChIInChI=1S/C23H26ClN5O2S/c1-28-21(30)3-2-19-22(28)17(18(24)13-26-19)6-9-29-7-4-16(5-8-29)25-11-15-10-20-23(27-12-15)31-14-32-20/h2-3,10,12-13,16,25H,4-9,11,14H2,1H3
InChIKeyBABKQZDLVGDLHF-UHFFFAOYSA-N
MW472.01 g/mol
LogP3.22
Rot. Bonds6

About 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 24890653) has the molecular formula C23H26ClN5O2S and a molecular weight of 472.01 g/mol. Its IUPAC name is 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID24890653
Molecular FormulaC23H26ClN5O2S
Molecular Weight472.01 g/mol
Exact Mass471.15
IUPAC Name7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NCc4cnc5c(c4)SCO5)CC3)c21
InChIInChI=1S/C23H26ClN5O2S/c1-28-21(30)3-2-19-22(28)17(18(24)13-26-19)6-9-29-7-4-16(5-8-29)25-11-15-10-20-23(27-12-15)31-14-32-20/h2-3,10,12-13,16,25H,4-9,11,14H2,1H3
InChIKeyBABKQZDLVGDLHF-UHFFFAOYSA-N
XLogP3.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-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

Related Compounds

7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one
CID 24888266
7-[[[(3R)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carbonitrile;dihydrochloride
CID 68511324
6-[[[(3R)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143608556
6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 68508078
8-[2-[(3R)-3-[[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]methyl]pyrrolidin-1-yl]ethyl]-7-chloro-1-methyl-1,5-naphthyridin-2-one
CID 89302808
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1-methylquinolin-2-one;dihydrochloride
CID 68514517
N-tert-butyl-N-[(3R,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamate
CID 131739843
6-[[[1-[2-(3,6-dichloroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10348121
6-[[[1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 44529509
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one
CID 24888620
1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride
CID 10348005
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 44528580

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 24890653) is 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is Cn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NCc4cnc5c(c4)SCO5)CC3)c21.
What is the InChIKey of 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is BABKQZDLVGDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S/c1-28-21(30)3-2-19-22(28)17(18(24)13-26-19)6-9-29-7-4-16(5-8-29)25-11-15-10-20-23(27-12-15)31-14-32-20/h2-3,10,12-13,16,25H,4-9,11,14H2,1H3.
What are the key properties of 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 472.01 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 24890653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).