2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C24H29FN4O — CID 142456958

IUPAC2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCC(C)c1cc2c(NC3CCCCC3)c(C(=O)Nc3ccc(F)cc3)cnc2[nH]1
InChIInChI=1S/C24H29FN4O/c1-3-15(2)21-13-19-22(27-17-7-5-4-6-8-17)20(14-26-23(19)29-21)24(30)28-18-11-9-16(25)10-12-18/h9-15,17H,3-8H2,1-2H3,(H,28,30)(H2,26,27,29)
InChIKeyHODUYMVBYLGPFJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP6.21
Rot. Bonds6

About 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142456958) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142456958
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCC(C)c1cc2c(NC3CCCCC3)c(C(=O)Nc3ccc(F)cc3)cnc2[nH]1
InChIInChI=1S/C24H29FN4O/c1-3-15(2)21-13-19-22(27-17-7-5-4-6-8-17)20(14-26-23(19)29-21)24(30)28-18-11-9-16(25)10-12-18/h9-15,17H,3-8H2,1-2H3,(H,28,30)(H2,26,27,29)
InChIKeyHODUYMVBYLGPFJ-UHFFFAOYSA-N
XLogP6.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

4-[(4-aminocyclohexyl)amino]-N-(4-fluorophenyl)-2-(1-hydroxybutyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146435154
1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 58629406
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
1-ethyl-N-[4-(methylsulfamoyl)phenyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69009965
4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456982
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146434970
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142456958) is 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CCC(C)c1cc2c(NC3CCCCC3)c(C(=O)Nc3ccc(F)cc3)cnc2[nH]1.
What is the InChIKey of 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HODUYMVBYLGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-3-15(2)21-13-19-22(27-17-7-5-4-6-8-17)20(14-26-23(19)29-21)24(30)28-18-11-9-16(25)10-12-18/h9-15,17H,3-8H2,1-2H3,(H,28,30)(H2,26,27,29).
What are the key properties of 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 6.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142456958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).