N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

C25H24F3N3O3 — CID 122655049

IUPACN-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESCOCC(O)CN(C(=O)c1cccc2c1CCN2)c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C25H24F3N3O3/c1-34-14-17(32)13-31(25(33)19-3-2-4-22-18(19)6-8-29-22)23-12-15(5-7-30-23)9-16-10-20(26)24(28)21(27)11-16/h2-5,7,10-12,17,29,32H,6,8-9,13-14H2,1H3
InChIKeyYSCPGFLISKGSFX-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.71
Rot. Bonds8

About N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655049) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122655049
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESCOCC(O)CN(C(=O)c1cccc2c1CCN2)c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C25H24F3N3O3/c1-34-14-17(32)13-31(25(33)19-3-2-4-22-18(19)6-8-29-22)23-12-15(5-7-30-23)9-16-10-20(26)24(28)21(27)11-16/h2-5,7,10-12,17,29,32H,6,8-9,13-14H2,1H3
InChIKeyYSCPGFLISKGSFX-UHFFFAOYSA-N
XLogP3.71
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122655049) is N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is COCC(O)CN(C(=O)c1cccc2c1CCN2)c1cc(Cc2cc(F)c(F)c(F)c2)ccn1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is YSCPGFLISKGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-34-14-17(32)13-31(25(33)19-3-2-4-22-18(19)6-8-29-22)23-12-15(5-7-30-23)9-16-10-20(26)24(28)21(27)11-16/h2-5,7,10-12,17,29,32H,6,8-9,13-14H2,1H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).