N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C20H20FN3O — CID 96997676

IUPACN-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(C(=O)Cc1c[nH]c2ncccc12)[C@@H](c1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H20FN3O/c1-24(19(13-4-5-13)14-6-8-16(21)9-7-14)18(25)11-15-12-23-20-17(15)3-2-10-22-20/h2-3,6-10,12-13,19H,4-5,11H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyORHHDYQVJYPBQH-LJQANCHMSA-N
MW337.40 g/mol
LogP3.85
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 96997676) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID96997676
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(C(=O)Cc1c[nH]c2ncccc12)[C@@H](c1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H20FN3O/c1-24(19(13-4-5-13)14-6-8-16(21)9-7-14)18(25)11-15-12-23-20-17(15)3-2-10-22-20/h2-3,6-10,12-13,19H,4-5,11H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyORHHDYQVJYPBQH-LJQANCHMSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 71850253
N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154838415
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154843804
1-[2-[methyl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525595
N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970935
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119659375
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119654771
2-(3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]anilino)-2-(2-methylphenyl)-N-(oxan-4-yl)acetamide
CID 122537156
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415463

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 96997676) is N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CN(C(=O)Cc1c[nH]c2ncccc12)[C@@H](c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is ORHHDYQVJYPBQH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-24(19(13-4-5-13)14-6-8-16(21)9-7-14)18(25)11-15-12-23-20-17(15)3-2-10-22-20/h2-3,6-10,12-13,19H,4-5,11H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 96997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).