5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

C17H13ClF3N3O — CID 164564411

IUPAC5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESC[C@@H](NC(=O)c1nc(Cl)cc2cc[nH]c12)c1cccc(C(F)F)c1F
InChIInChI=1S/C17H13ClF3N3O/c1-8(10-3-2-4-11(13(10)19)16(20)21)23-17(25)15-14-9(5-6-22-14)7-12(18)24-15/h2-8,16,22H,1H3,(H,23,25)/t8-/m1/s1
InChIKeyCSHDLUBSTPZPHX-MRVPVSSYSA-N
MW367.76 g/mol
LogP4.78
Rot. Bonds4

About 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 164564411) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
PubChem CID164564411
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESC[C@@H](NC(=O)c1nc(Cl)cc2cc[nH]c12)c1cccc(C(F)F)c1F
InChIInChI=1S/C17H13ClF3N3O/c1-8(10-3-2-4-11(13(10)19)16(20)21)23-17(25)15-14-9(5-6-22-14)7-12(18)24-15/h2-8,16,22H,1H3,(H,23,25)/t8-/m1/s1
InChIKeyCSHDLUBSTPZPHX-MRVPVSSYSA-N
XLogP4.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
CID 162762537
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide
CID 162762200
7-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-3,4-dihydro-2H-pyrimido[1,2-b]pyridazine-9-carboxamide
CID 177158029
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948
(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
CID 177157940
1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934929
tert-butyl 4-[7-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-1H-indazol-5-yl]piperazine-1-carboxylate
CID 164564377
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 166339307
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
(2S,7S)-12-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-oxa-1,8,13-triazatricyclo[7.4.0.02,7]trideca-8,10,12-triene-10-carboxamide
CID 177158092

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 164564411) is 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is C[C@@H](NC(=O)c1nc(Cl)cc2cc[nH]c12)c1cccc(C(F)F)c1F.
What is the InChIKey of 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The InChIKey is CSHDLUBSTPZPHX-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c1-8(10-3-2-4-11(13(10)19)16(20)21)23-17(25)15-14-9(5-6-22-14)7-12(18)24-15/h2-8,16,22H,1H3,(H,23,25)/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 367.76 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 164564411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).