4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide

C20H17FN4O — CID 140797941

IUPAC4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(N)=O)c4c(F)cccc43)cc2)cn1
InChIInChI=1S/C20H17FN4O/c1-24-11-15(9-23-24)14-7-5-13(6-8-14)10-25-12-16(20(22)26)19-17(21)3-2-4-18(19)25/h2-9,11-12H,10H2,1H3,(H2,22,26)
InChIKeyHNOLOVDPJFTPSM-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.33
Rot. Bonds4

About 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide

4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide (PubChem CID 140797941) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
PubChem CID140797941
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(N)=O)c4c(F)cccc43)cc2)cn1
InChIInChI=1S/C20H17FN4O/c1-24-11-15(9-23-24)14-7-5-13(6-8-14)10-25-12-16(20(22)26)19-17(21)3-2-4-18(19)25/h2-9,11-12H,10H2,1H3,(H2,22,26)
InChIKeyHNOLOVDPJFTPSM-UHFFFAOYSA-N
XLogP3.33
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
CID 144813189
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482851
4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 158714807
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46187846
ethyl 1-[[4-(4-ethenylpyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylate
CID 44623933
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide (CID 140797941) is 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(N)=O)c4c(F)cccc43)cc2)cn1.
What is the InChIKey of 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is HNOLOVDPJFTPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-24-11-15(9-23-24)14-7-5-13(6-8-14)10-25-12-16(20(22)26)19-17(21)3-2-4-18(19)25/h2-9,11-12H,10H2,1H3,(H2,22,26).
What are the key properties of 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 140797941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).