N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide

C48H44F4N8O2 — CID 158305531

IUPACN-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)NC4CC(F)(F)C4)c4c(F)cccc43)cc2)cn1.Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCC4)c4c(F)cccc43)cc2)cn1
InChIInChI=1S/C24H21F3N4O.C24H23FN4O/c1-30-13-17(11-28-30)16-7-5-15(6-8-16)12-31-14-19(22-20(25)3-2-4-21(22)31)23(32)29-18-9-24(26,27)10-18;1-28-14-18(12-26-28)17-10-8-16(9-11-17)13-29-15-20(24(30)27-19-4-2-5-19)23-21(25)6-3-7-22(23)29/h2-8,11,13-14,18H,9-10,12H2,1H3,(H,29,32);3,6-12,14-15,19H,2,4-5,13H2,1H3,(H,27,30)
InChIKeyGNAPHNAVXKHPNJ-UHFFFAOYSA-N
MW840.93 g/mol
LogP9.27
Rot. Bonds10

About N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide

N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide (PubChem CID 158305531) has the molecular formula C48H44F4N8O2 and a molecular weight of 840.93 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
PubChem CID158305531
Molecular FormulaC48H44F4N8O2
Molecular Weight840.93 g/mol
Exact Mass840.35
IUPAC NameN-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)NC4CC(F)(F)C4)c4c(F)cccc43)cc2)cn1.Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCC4)c4c(F)cccc43)cc2)cn1
InChIInChI=1S/C24H21F3N4O.C24H23FN4O/c1-30-13-17(11-28-30)16-7-5-15(6-8-16)12-31-14-19(22-20(25)3-2-4-21(22)31)23(32)29-18-9-24(26,27)10-18;1-28-14-18(12-26-28)17-10-8-16(9-11-17)13-29-15-20(24(30)27-19-4-2-5-19)23-21(25)6-3-7-22(23)29/h2-8,11,13-14,18H,9-10,12H2,1H3,(H,29,32);3,6-12,14-15,19H,2,4-5,13H2,1H3,(H,27,30)
InChIKeyGNAPHNAVXKHPNJ-UHFFFAOYSA-N
XLogP9.27
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.93
LogP ≤ 59.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide with MolForge

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Related Compounds

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CID 118711178
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
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US10807952, Cmp No. 25
CID 135221634
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide (CID 158305531) is N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CC(F)(F)C4)c4c(F)cccc43)cc2)cn1.Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCC4)c4c(F)cccc43)cc2)cn1.
What is the InChIKey of N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is GNAPHNAVXKHPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O.C24H23FN4O/c1-30-13-17(11-28-30)16-7-5-15(6-8-16)12-31-14-19(22-20(25)3-2-4-21(22)31)23(32)29-18-9-24(26,27)10-18;1-28-14-18(12-26-28)17-10-8-16(9-11-17)13-29-15-20(24(30)27-19-4-2-5-19)23-21(25)6-3-7-22(23)29/h2-8,11,13-14,18H,9-10,12H2,1H3,(H,29,32);3,6-12,14-15,19H,2,4-5,13H2,1H3,(H,27,30).
What are the key properties of N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 840.93 g/mol, XLogP of 9.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide;N-(3,3-difluorocyclobutyl)-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 158305531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).