5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C23H24ClFN4O3 — CID 59753713

IUPAC5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1)C1CCOCC1
InChIInChI=1S/C23H24ClFN4O3/c1-29(17-6-8-32-9-7-17)23(31)19(10-14-2-4-16(25)5-3-14)28-22(30)18-11-15-12-21(24)26-13-20(15)27-18/h2-5,11-13,17,19,27H,6-10H2,1H3,(H,28,30)/t19-/m0/s1
InChIKeyGWHWFNADFUJJTE-IBGZPJMESA-N
MW458.92 g/mol
LogP3.33
Rot. Bonds6

About 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 59753713) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID59753713
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC Name5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1)C1CCOCC1
InChIInChI=1S/C23H24ClFN4O3/c1-29(17-6-8-32-9-7-17)23(31)19(10-14-2-4-16(25)5-3-14)28-22(30)18-11-15-12-21(24)26-13-20(15)27-18/h2-5,11-13,17,19,27H,6-10H2,1H3,(H,28,30)/t19-/m0/s1
InChIKeyGWHWFNADFUJJTE-IBGZPJMESA-N
XLogP3.33
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 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 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 59753713) is 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1)C1CCOCC1.
What is the InChIKey of 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GWHWFNADFUJJTE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-29(17-6-8-32-9-7-17)23(31)19(10-14-2-4-16(25)5-3-14)28-22(30)18-11-15-12-21(24)26-13-20(15)27-18/h2-5,11-13,17,19,27H,6-10H2,1H3,(H,28,30)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 59753713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).