(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

C25H27F2N5O2 — CID 44535182

IUPAC(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1
InChIInChI=1S/C25H27F2N5O2/c1-34-23-5-4-21-25(31-23)17(6-9-28-21)22(33)14-32-10-7-15(8-11-32)29-13-16-12-18-19(26)2-3-20(27)24(18)30-16/h2-6,9,12,15,22,29-30,33H,7-8,10-11,13-14H2,1H3/t22-/m0/s1
InChIKeySOUVTLXNHPRVNY-QFIPXVFZSA-N
MW467.52 g/mol
LogP3.69
Rot. Bonds7

About (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 44535182) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID44535182
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1
InChIInChI=1S/C25H27F2N5O2/c1-34-23-5-4-21-25(31-23)17(6-9-28-21)22(33)14-32-10-7-15(8-11-32)29-13-16-12-18-19(26)2-3-20(27)24(18)30-16/h2-6,9,12,15,22,29-30,33H,7-8,10-11,13-14H2,1H3/t22-/m0/s1
InChIKeySOUVTLXNHPRVNY-QFIPXVFZSA-N
XLogP3.69
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
6-[[[1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69373936
7-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[3,4-b][1,4]thiazin-2-one
CID 10277506
1-(6-methoxyquinolin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethylamino)piperidin-1-yl]ethanol
CID 22281705
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one
CID 44535820
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one;hydrochloride
CID 44535819
2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 58989677
(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 44535223
2-[[[1-[(2S)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]quinolin-8-ol
CID 68982536
4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 44530113
(1R)-2-[4-[(3-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44535578
6-[[[8-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 45481000

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 44535182) is (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1.
What is the InChIKey of (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is SOUVTLXNHPRVNY-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c1-34-23-5-4-21-25(31-23)17(6-9-28-21)22(33)14-32-10-7-15(8-11-32)29-13-16-12-18-19(26)2-3-20(27)24(18)30-16/h2-6,9,12,15,22,29-30,33H,7-8,10-11,13-14H2,1H3/t22-/m0/s1.
What are the key properties of (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 467.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 44535182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).