(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide

C24H23FN4O — CID 59084347

IUPAC(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C24H23FN4O/c1-3-4-15(2)24(30)28-20-10-9-19-21(16-11-13-26-14-12-16)22(29-23(19)27-20)17-5-7-18(25)8-6-17/h5-15H,3-4H2,1-2H3,(H2,27,28,29,30)/t15-/m1/s1
InChIKeyCLXRCPPCJWHLSJ-OAHLLOKOSA-N
MW402.47 g/mol
LogP5.81
Rot. Bonds6

About (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide

(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide (PubChem CID 59084347) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide
PubChem CID59084347
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C24H23FN4O/c1-3-4-15(2)24(30)28-20-10-9-19-21(16-11-13-26-14-12-16)22(29-23(19)27-20)17-5-7-18(25)8-6-17/h5-15H,3-4H2,1-2H3,(H2,27,28,29,30)/t15-/m1/s1
InChIKeyCLXRCPPCJWHLSJ-OAHLLOKOSA-N
XLogP5.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-4-phenylbutanamide
CID 59067855
(4S)-4-amino-5-[[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-oxopentanoic acid
CID 12968345
tert-butyl N-[(2S)-1-[[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 59067873
butyl N-[(1R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-2-oxo-1-phenylethyl]carbamate
CID 70346855
(2S)-2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(1H-imidazol-5-yl)propanamide
CID 22965661
2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide
CID 22965673
N,N-dibutyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 21352979
2-(4-fluorophenyl)-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 22965700
2-(4-fluorophenyl)-3-pyridin-4-yl-N-[1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]propa-1,2-dienyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 176519407
2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 18175171
N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
CID 148676240
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide?
The IUPAC name of (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide (CID 59084347) is (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide.
What is the SMILES notation for (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide?
The canonical SMILES for (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide is CCC[C@@H](C)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide?
The InChIKey is CLXRCPPCJWHLSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-3-4-15(2)24(30)28-20-10-9-19-21(16-11-13-26-14-12-16)22(29-23(19)27-20)17-5-7-18(25)8-6-17/h5-15H,3-4H2,1-2H3,(H2,27,28,29,30)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide?
(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide has a molecular weight of 402.47 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide is sourced from PubChem (CID 59084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).