1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C24H24FN3O3 — CID 122653720

IUPAC1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(Cc2ccnc(N3CCc4c(C(=O)NCCO)cccc43)c2)ccc1F
InChIInChI=1S/C24H24FN3O3/c1-31-22-14-16(5-6-20(22)25)13-17-7-9-26-23(15-17)28-11-8-18-19(3-2-4-21(18)28)24(30)27-10-12-29/h2-7,9,14-15,29H,8,10-13H2,1H3,(H,27,30)
InChIKeyXVRXMCSNVXDSGQ-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.24
Rot. Bonds7

About 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 122653720) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID122653720
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(Cc2ccnc(N3CCc4c(C(=O)NCCO)cccc43)c2)ccc1F
InChIInChI=1S/C24H24FN3O3/c1-31-22-14-16(5-6-20(22)25)13-17-7-9-26-23(15-17)28-11-8-18-19(3-2-4-21(18)28)24(30)27-10-12-29/h2-7,9,14-15,29H,8,10-13H2,1H3,(H,27,30)
InChIKeyXVRXMCSNVXDSGQ-UHFFFAOYSA-N
XLogP3.24
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

n-Isopropyl-1-[3-(3-ethoxyphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274114
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 24761480
1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162647487
N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162655975
N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162672139
3-[(4-Methoxyphenyl)amino]-2-pyridin-2-ylisoindolin-1-one
CID 16194350
(R)-5-(3,5-Difluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89907260
N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-5-(5-fluoro-2-methylphenyl)nicotinamide
CID 89908242
(R)-5-(3-Fluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 118195273
1-(3-methoxy-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 71455595
4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 155517870
4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 155518157

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 122653720) is 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is COc1cc(Cc2ccnc(N3CCc4c(C(=O)NCCO)cccc43)c2)ccc1F.
What is the InChIKey of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is XVRXMCSNVXDSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-31-22-14-16(5-6-20(22)25)13-17-7-9-26-23(15-17)28-11-8-18-19(3-2-4-21(18)28)24(30)27-10-12-29/h2-7,9,14-15,29H,8,10-13H2,1H3,(H,27,30).
What are the key properties of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).