1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C42H55FN10O4 — CID 157160915

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(N5CCCC5)c(F)c4)CC3)c2c1
InChIInChI=1S/C26H33FN6O2.C16H22N4O2/c1-35-21-15-24-23(29-18-21)4-5-25(34)33(24)13-12-31-10-6-20(7-11-31)28-16-19-14-22(27)26(30-17-19)32-8-2-3-9-32;1-22-13-10-15-14(18-11-13)2-3-16(21)20(15)9-8-19-6-4-12(17)5-7-19/h4-5,14-15,17-18,20,28H,2-3,6-13,16H2,1H3;2-3,10-12H,4-9,17H2,1H3
InChIKeyAMJCQOLXUWQKHB-UHFFFAOYSA-N
MW782.97 g/mol
LogP3.62
Rot. Bonds12

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 157160915) has the molecular formula C42H55FN10O4 and a molecular weight of 782.97 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID157160915
Molecular FormulaC42H55FN10O4
Molecular Weight782.97 g/mol
Exact Mass782.44
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(N5CCCC5)c(F)c4)CC3)c2c1
InChIInChI=1S/C26H33FN6O2.C16H22N4O2/c1-35-21-15-24-23(29-18-21)4-5-25(34)33(24)13-12-31-10-6-20(7-11-31)28-16-19-14-22(27)26(30-17-19)32-8-2-3-9-32;1-22-13-10-15-14(18-11-13)2-3-16(21)20(15)9-8-19-6-4-12(17)5-7-19/h4-5,14-15,17-18,20,28H,2-3,6-13,16H2,1H3;2-3,10-12H,4-9,17H2,1H3
InChIKeyAMJCQOLXUWQKHB-UHFFFAOYSA-N
XLogP3.62
TPSA148.90 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one with MolForge

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Related Compounds

1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxy-1,8-naphthyridin-2(1H)-one
CID 15982407
6-(5-(difluoromethoxy)pyridin-2-yl)-N-(1-(4-fluorophenyl)ethyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831158
6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644113
6-[[[(3R,4S)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644114
6-[[[(3R,4S)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644116
1-(4-Fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118712949
6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122187097
6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122187100
6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122187101
6-[[[1-[2-[2-oxo-7-[(3R)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122187102
6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122187103
6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122187104

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 157160915) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(N5CCCC5)c(F)c4)CC3)c2c1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is AMJCQOLXUWQKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2.C16H22N4O2/c1-35-21-15-24-23(29-18-21)4-5-25(34)33(24)13-12-31-10-6-20(7-11-31)28-16-19-14-22(27)26(30-17-19)32-8-2-3-9-32;1-22-13-10-15-14(18-11-13)2-3-16(21)20(15)9-8-19-6-4-12(17)5-7-19/h4-5,14-15,17-18,20,28H,2-3,6-13,16H2,1H3;2-3,10-12H,4-9,17H2,1H3.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 782.97 g/mol, XLogP of 3.62, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 157160915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).