4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide

C26H26F2N4O2 — CID 123833679

IUPAC4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide
SMILESCc1ccn(-c2ccc(Cn3cc(C(=O)NC4CCCCC4O)c4c(F)c(F)ccc43)cc2)n1
InChIInChI=1S/C26H26F2N4O2/c1-16-12-13-32(30-16)18-8-6-17(7-9-18)14-31-15-19(24-22(31)11-10-20(27)25(24)28)26(34)29-21-4-2-3-5-23(21)33/h6-13,15,21,23,33H,2-5,14H2,1H3,(H,29,34)
InChIKeyZZZOZBSGGBXPDU-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.50
Rot. Bonds5

About 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide

4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide (PubChem CID 123833679) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide
PubChem CID123833679
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide
SMILESCc1ccn(-c2ccc(Cn3cc(C(=O)NC4CCCCC4O)c4c(F)c(F)ccc43)cc2)n1
InChIInChI=1S/C26H26F2N4O2/c1-16-12-13-32(30-16)18-8-6-17(7-9-18)14-31-15-19(24-22(31)11-10-20(27)25(24)28)26(34)29-21-4-2-3-5-23(21)33/h6-13,15,21,23,33H,2-5,14H2,1H3,(H,29,34)
InChIKeyZZZOZBSGGBXPDU-UHFFFAOYSA-N
XLogP4.50
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813167
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide
CID 138644469
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482851
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
1-[(2-bromo-1,3-thiazol-5-yl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312988
5,8-difluoro-N-[(1S)-2-hydroxycyclopentyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155106723
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
1-[(2,5-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312869
1-[(4-bromophenyl)methyl]-N-(2-hydroxycyclohexyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 123709235
2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404570
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide (CID 123833679) is 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide is Cc1ccn(-c2ccc(Cn3cc(C(=O)NC4CCCCC4O)c4c(F)c(F)ccc43)cc2)n1.
What is the InChIKey of 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is ZZZOZBSGGBXPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-16-12-13-32(30-16)18-8-6-17(7-9-18)14-31-15-19(24-22(31)11-10-20(27)25(24)28)26(34)29-21-4-2-3-5-23(21)33/h6-13,15,21,23,33H,2-5,14H2,1H3,(H,29,34).
What are the key properties of 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide?
4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 123833679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).