N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide

C25H23ClF2N4O3 — CID 166004789

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide
SMILESCC(C)N1C(=O)C(C)(C)c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21
InChIInChI=1S/C25H23ClF2N4O3/c1-14(2)32-21-19(16-11-29-13-30-12-16)9-15(10-20(21)24(3,4)23(32)34)22(33)31-17-5-7-18(8-6-17)35-25(26,27)28/h5-14H,1-4H3,(H,31,33)
InChIKeyOMJPDWKYLHFFMN-UHFFFAOYSA-N
MW500.93 g/mol
LogP5.60
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide (PubChem CID 166004789) has the molecular formula C25H23ClF2N4O3 and a molecular weight of 500.93 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide
PubChem CID166004789
Molecular FormulaC25H23ClF2N4O3
Molecular Weight500.93 g/mol
Exact Mass500.14
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide
SMILESCC(C)N1C(=O)C(C)(C)c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21
InChIInChI=1S/C25H23ClF2N4O3/c1-14(2)32-21-19(16-11-29-13-30-12-16)9-15(10-20(21)24(3,4)23(32)34)22(33)31-17-5-7-18(8-6-17)35-25(26,27)28/h5-14H,1-4H3,(H,31,33)
InChIKeyOMJPDWKYLHFFMN-UHFFFAOYSA-N
XLogP5.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146458743
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1S)-1-cyclopropylethyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146508269
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146507803
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-pent-4-yn-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 161448596
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-cyanopropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146509062
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[1-(hydroxymethyl)cyclopropyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146508270
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919395
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 177135457
N-[4-[chloro(difluoro)methoxy]phenyl]-7-(2-methoxypyrimidin-5-yl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 146507824
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919405
(2S)-N-[4-[chloro(difluoro)methoxy]phenyl]-2-hydroxy-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 146458757
tert-butyl N-[(3R)-1-[5-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-3-pyrimidin-5-yl-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 131734999

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide (CID 166004789) is N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide is CC(C)N1C(=O)C(C)(C)c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide?
The InChIKey is OMJPDWKYLHFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N4O3/c1-14(2)32-21-19(16-11-29-13-30-12-16)9-15(10-20(21)24(3,4)23(32)34)22(33)31-17-5-7-18(8-6-17)35-25(26,27)28/h5-14H,1-4H3,(H,31,33).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide has a molecular weight of 500.93 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-3,3-dimethyl-2-oxo-1-propan-2-yl-7-pyrimidin-5-ylindole-5-carboxamide is sourced from PubChem (CID 166004789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).