N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C23H25N5O2 — CID 146421635

IUPACN-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(C#N)cc2)N3)C1
InChIInChI=1S/C23H25N5O2/c1-15(29)27(3)20-8-9-28(14-20)22(30)18-10-17-11-23(2,26-21(17)25-13-18)19-6-4-16(12-24)5-7-19/h4-7,10,13,20H,8-9,11,14H2,1-3H3,(H,25,26)/t20-,23+/m0/s1
InChIKeyJYYRCGWDPRZBHD-NZQKXSOJSA-N
MW403.49 g/mol
LogP2.53
Rot. Bonds3

About N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 146421635) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID146421635
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(C#N)cc2)N3)C1
InChIInChI=1S/C23H25N5O2/c1-15(29)27(3)20-8-9-28(14-20)22(30)18-10-17-11-23(2,26-21(17)25-13-18)19-6-4-16(12-24)5-7-19/h4-7,10,13,20H,8-9,11,14H2,1-3H3,(H,25,26)/t20-,23+/m0/s1
InChIKeyJYYRCGWDPRZBHD-NZQKXSOJSA-N
XLogP2.53
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 146421635) is N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(C#N)cc2)N3)C1.
What is the InChIKey of N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is JYYRCGWDPRZBHD-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(29)27(3)20-8-9-28(14-20)22(30)18-10-17-11-23(2,26-21(17)25-13-18)19-6-4-16(12-24)5-7-19/h4-7,10,13,20H,8-9,11,14H2,1-3H3,(H,25,26)/t20-,23+/m0/s1.
What are the key properties of N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 403.49 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2R)-2-(4-cyanophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 146421635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).