N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

C26H24F3N3O3 — CID 122655018

IUPACN-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(c1cccc2c1CCN2)N(CC1(CO)COC1)c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C26H24F3N3O3/c27-20-9-17(10-21(28)24(20)29)8-16-4-6-31-23(11-16)32(12-26(13-33)14-35-15-26)25(34)19-2-1-3-22-18(19)5-7-30-22/h1-4,6,9-11,30,33H,5,7-8,12-15H2
InChIKeyZXMUZSDBSULTFA-UHFFFAOYSA-N
MW483.49 g/mol
LogP3.71
Rot. Bonds7

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

N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655018) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122655018
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC NameN-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(c1cccc2c1CCN2)N(CC1(CO)COC1)c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C26H24F3N3O3/c27-20-9-17(10-21(28)24(20)29)8-16-4-6-31-23(11-16)32(12-26(13-33)14-35-15-26)25(34)19-2-1-3-22-18(19)5-7-30-22/h1-4,6,9-11,30,33H,5,7-8,12-15H2
InChIKeyZXMUZSDBSULTFA-UHFFFAOYSA-N
XLogP3.71
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
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-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122655018) is N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is O=C(c1cccc2c1CCN2)N(CC1(CO)COC1)c1cc(Cc2cc(F)c(F)c(F)c2)ccn1.
What is the InChIKey of N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is ZXMUZSDBSULTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c27-20-9-17(10-21(28)24(20)29)8-16-4-6-31-23(11-16)32(12-26(13-33)14-35-15-26)25(34)19-2-1-3-22-18(19)5-7-30-22/h1-4,6,9-11,30,33H,5,7-8,12-15H2.
What are the key properties of N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).