1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C49H59FN10O5 — CID 158021366

IUPAC1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)CCCO5)CC3)c2c1.O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)CCCO3)CC1
InChIInChI=1S/C25H31N5O3.C24H28FN5O2/c1-32-21-14-23-22(28-17-21)4-5-25(31)30(23)11-10-29-8-6-19(7-9-29)27-16-20-13-24-18(15-26-20)3-2-12-33-24;25-18-12-22-21(28-15-18)3-4-24(31)30(22)10-9-29-7-5-19(6-8-29)27-16-20-13-23-17(14-26-20)2-1-11-32-23/h4-5,13-15,17,19,27H,2-3,6-12,16H2,1H3;3-4,12-15,19,27H,1-2,5-11,16H2
InChIKeyFGCHMYKJCSOYCB-UHFFFAOYSA-N
MW887.07 g/mol
LogP4.89
Rot. Bonds13

About 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 158021366) has the molecular formula C49H59FN10O5 and a molecular weight of 887.07 g/mol. Its IUPAC name is 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID158021366
Molecular FormulaC49H59FN10O5
Molecular Weight887.07 g/mol
Exact Mass886.47
IUPAC Name1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)CCCO5)CC3)c2c1.O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)CCCO3)CC1
InChIInChI=1S/C25H31N5O3.C24H28FN5O2/c1-32-21-14-23-22(28-17-21)4-5-25(31)30(23)11-10-29-8-6-19(7-9-29)27-16-20-13-24-18(15-26-20)3-2-12-33-24;25-18-12-22-21(28-15-18)3-4-24(31)30(22)10-9-29-7-5-19(6-8-29)27-16-20-13-23-17(14-26-20)2-1-11-32-23/h4-5,13-15,17,19,27H,2-3,6-12,16H2,1H3;3-4,12-15,19,27H,1-2,5-11,16H2
InChIKeyFGCHMYKJCSOYCB-UHFFFAOYSA-N
XLogP4.89
TPSA153.79 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.07
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-4-((4-(((2,3-Dihydro-[1,4]dioxino[2,3-C]pyridin-7-Yl)methyl)amino)piperidin-1-Yl)methyl)-3-Fluoro-4-Hydroxy-4h-Pyrrolo[3,2,1-De][1,5]naphthyridin-7(5h)-One
CID 23633343
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxyquinolin-2(1H)-one
CID 11983362
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine
CID 73333522
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
CID 44525837
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride
CID 44529751
6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536353
1-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,6-naphthyridin-2-one
CID 56834578

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 158021366) is 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)CCCO5)CC3)c2c1.O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)CCCO3)CC1.
What is the InChIKey of 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is FGCHMYKJCSOYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.C24H28FN5O2/c1-32-21-14-23-22(28-17-21)4-5-25(31)30(23)11-10-29-8-6-19(7-9-29)27-16-20-13-24-18(15-26-20)3-2-12-33-24;25-18-12-22-21(28-15-18)3-4-24(31)30(22)10-9-29-7-5-19(6-8-29)27-16-20-13-23-17(14-26-20)2-1-11-32-23/h4-5,13-15,17,19,27H,2-3,6-12,16H2,1H3;3-4,12-15,19,27H,1-2,5-11,16H2.
What are the key properties of 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 887.07 g/mol, XLogP of 4.89, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 158021366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).