5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C24H21F4N3O2 — CID 145181558

IUPAC5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCCO)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C24H21F4N3O2/c25-17-2-3-20-16(22(17)24(33)30-6-1-9-32)5-8-31(20)21-13-14(4-7-29-21)10-15-11-18(26)23(28)19(27)12-15/h2-4,7,11-13,32H,1,5-6,8-10H2,(H,30,33)
InChIKeyCVJYVQPAIHAMLP-UHFFFAOYSA-N
MW459.44 g/mol
LogP4.04
Rot. Bonds7

About 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 145181558) has the molecular formula C24H21F4N3O2 and a molecular weight of 459.44 g/mol. Its IUPAC name is 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID145181558
Molecular FormulaC24H21F4N3O2
Molecular Weight459.44 g/mol
Exact Mass459.16
IUPAC Name5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCCO)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C24H21F4N3O2/c25-17-2-3-20-16(22(17)24(33)30-6-1-9-32)5-8-31(20)21-13-14(4-7-29-21)10-15-11-18(26)23(28)19(27)12-15/h2-4,7,11-13,32H,1,5-6,8-10H2,(H,30,33)
InChIKeyCVJYVQPAIHAMLP-UHFFFAOYSA-N
XLogP4.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653586
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
N-[(2R)-3-fluoro-2-hydroxypropyl]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653587
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653688
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653721
[1-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindol-4-yl]-(methylamino)methanol
CID 129214783
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 145181558) is 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is O=C(NCCCO)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1.
What is the InChIKey of 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is CVJYVQPAIHAMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O2/c25-17-2-3-20-16(22(17)24(33)30-6-1-9-32)5-8-31(20)21-13-14(4-7-29-21)10-15-11-18(26)23(28)19(27)12-15/h2-4,7,11-13,32H,1,5-6,8-10H2,(H,30,33).
What are the key properties of 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 145181558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).