5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide

C22H18ClFN4O — CID 126714948

IUPAC5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide
SMILESCC1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN4O/c1-13-10-22(13,15-11-25-28(12-15)18-5-3-17(24)4-6-18)27-21(29)20-9-14-8-16(23)2-7-19(14)26-20/h2-9,11-13,26H,10H2,1H3,(H,27,29)
InChIKeyXVPVDRNATMDHOS-UHFFFAOYSA-N
MW408.86 g/mol
LogP4.81
Rot. Bonds4

About 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide (PubChem CID 126714948) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide
PubChem CID126714948
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide
SMILESCC1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN4O/c1-13-10-22(13,15-11-25-28(12-15)18-5-3-17(24)4-6-18)27-21(29)20-9-14-8-16(23)2-7-19(14)26-20/h2-9,11-13,26H,10H2,1H3,(H,27,29)
InChIKeyXVPVDRNATMDHOS-UHFFFAOYSA-N
XLogP4.81
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide (CID 126714948) is 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide is CC1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is XVPVDRNATMDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c1-13-10-22(13,15-11-25-28(12-15)18-5-3-17(24)4-6-18)27-21(29)20-9-14-8-16(23)2-7-19(14)26-20/h2-9,11-13,26H,10H2,1H3,(H,27,29).
What are the key properties of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126714948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).