3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide

C23H20ClFN6O2 — CID 123877948

IUPAC3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide
SMILESNC(=O)n1cc(NC(=O)N2CC(F)CC2c2ncc(-c3cccc(Cl)c3)[nH]2)c2ccccc21
InChIInChI=1S/C23H20ClFN6O2/c24-14-5-3-4-13(8-14)17-10-27-21(28-17)20-9-15(25)11-31(20)23(33)29-18-12-30(22(26)32)19-7-2-1-6-16(18)19/h1-8,10,12,15,20H,9,11H2,(H2,26,32)(H,27,28)(H,29,33)
InChIKeyGKVOELZIFNVMIX-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.93
Rot. Bonds3

About 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide

3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide (PubChem CID 123877948) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide.

Molecular Properties

Compound Name3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide
PubChem CID123877948
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide
SMILESNC(=O)n1cc(NC(=O)N2CC(F)CC2c2ncc(-c3cccc(Cl)c3)[nH]2)c2ccccc21
InChIInChI=1S/C23H20ClFN6O2/c24-14-5-3-4-13(8-14)17-10-27-21(28-17)20-9-15(25)11-31(20)23(33)29-18-12-30(22(26)32)19-7-2-1-6-16(18)19/h1-8,10,12,15,20H,9,11H2,(H2,26,32)(H,27,28)(H,29,33)
InChIKeyGKVOELZIFNVMIX-UHFFFAOYSA-N
XLogP4.93
TPSA109.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
CID 139392711
8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 664853
1-[3-(3-chloro-5-fluorophenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164627529
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168272497
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168272821
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275406
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168288485
1-(2,4-Difluoro-phenyl)-3-[(R)-2-(1H-indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-urea
CID 10411795
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 56945132
N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76310658
N-[3-[6-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76317861
N-[3-[6-(6-chloro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76317863

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide?
The IUPAC name of 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide (CID 123877948) is 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide.
What is the SMILES notation for 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide?
The canonical SMILES for 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide is NC(=O)n1cc(NC(=O)N2CC(F)CC2c2ncc(-c3cccc(Cl)c3)[nH]2)c2ccccc21.
What is the InChIKey of 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide?
The InChIKey is GKVOELZIFNVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-14-5-3-4-13(8-14)17-10-27-21(28-17)20-9-15(25)11-31(20)23(33)29-18-12-30(22(26)32)19-7-2-1-6-16(18)19/h1-8,10,12,15,20H,9,11H2,(H2,26,32)(H,27,28)(H,29,33).
What are the key properties of 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide?
3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide has a molecular weight of 466.90 g/mol, XLogP of 4.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide is sourced from PubChem (CID 123877948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).