N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C23H19FN4O2 — CID 11384085

IUPACN-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cnc2[nH]cc(C(=O)NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN4O2/c24-17-8-6-16(7-9-17)12-27-23(30)20-14-26-22-19(20)11-18(13-25-22)28-21(29)10-15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyHSWQPOWATPYLFO-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.81
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11384085) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11384085
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cnc2[nH]cc(C(=O)NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN4O2/c24-17-8-6-16(7-9-17)12-27-23(30)20-14-26-22-19(20)11-18(13-25-22)28-21(29)10-15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyHSWQPOWATPYLFO-UHFFFAOYSA-N
XLogP3.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
3-[5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid
CID 69011596
5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11313743
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11452252
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520079
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11384085) is N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(Cc1ccccc1)Nc1cnc2[nH]cc(C(=O)NCc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HSWQPOWATPYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-8-6-16(7-9-17)12-27-23(30)20-14-26-22-19(20)11-18(13-25-22)28-21(29)10-15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11384085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).