(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide

C20H22F2N4O — CID 165404802

IUPAC(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]c(C(F)F)cc23)cc1
InChIInChI=1S/C20H22F2N4O/c1-11(2)9-16(23)20(27)25-13-5-3-12(4-6-13)14-7-8-24-19-15(14)10-17(26-19)18(21)22/h3-8,10-11,16,18H,9,23H2,1-2H3,(H,24,26)(H,25,27)/t16-/m1/s1
InChIKeyDELRHQDVXQJRGQ-MRXNPFEDSA-N
MW372.42 g/mol
LogP4.48
Rot. Bonds6

About (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide

(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide (PubChem CID 165404802) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide
PubChem CID165404802
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]c(C(F)F)cc23)cc1
InChIInChI=1S/C20H22F2N4O/c1-11(2)9-16(23)20(27)25-13-5-3-12(4-6-13)14-7-8-24-19-15(14)10-17(26-19)18(21)22/h3-8,10-11,16,18H,9,23H2,1-2H3,(H,24,26)(H,25,27)/t16-/m1/s1
InChIKeyDELRHQDVXQJRGQ-MRXNPFEDSA-N
XLogP4.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119399823
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide
CID 165404602
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CID 165404742
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
tert-butyl N-[(2R)-4,4-dimethyl-1-oxo-1-[4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]anilino]pentan-2-yl]carbamate
CID 165404870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide (CID 165404802) is (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]c(C(F)F)cc23)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide?
The InChIKey is DELRHQDVXQJRGQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-11(2)9-16(23)20(27)25-13-5-3-12(4-6-13)14-7-8-24-19-15(14)10-17(26-19)18(21)22/h3-8,10-11,16,18H,9,23H2,1-2H3,(H,24,26)(H,25,27)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide has a molecular weight of 372.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 165404802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).