(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide

C24H20F3N5O2 — CID 163269658

IUPAC(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCn1cc(-c2ccc(C(=O)N3CC[C@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)[nH]2)c2ncccc21
InChIInChI=1S/C24H20F3N5O2/c1-31-12-15(22-20(31)3-2-7-28-22)18-4-5-19(30-18)24(34)32-8-6-13(11-32)23(33)29-14-9-16(25)21(27)17(26)10-14/h2-5,7,9-10,12-13,30H,6,8,11H2,1H3,(H,29,33)/t13-/m0/s1
InChIKeyYHXQKTOINYGMON-ZDUSSCGKSA-N
MW467.45 g/mol
LogP4.09
Rot. Bonds4

About (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide

(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 163269658) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID163269658
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCn1cc(-c2ccc(C(=O)N3CC[C@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)[nH]2)c2ncccc21
InChIInChI=1S/C24H20F3N5O2/c1-31-12-15(22-20(31)3-2-7-28-22)18-4-5-19(30-18)24(34)32-8-6-13(11-32)23(33)29-14-9-16(25)21(27)17(26)10-14/h2-5,7,9-10,12-13,30H,6,8,11H2,1H3,(H,29,33)/t13-/m0/s1
InChIKeyYHXQKTOINYGMON-ZDUSSCGKSA-N
XLogP4.09
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide 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

(3S)-1-(5-pyrimidin-5-yl-1H-pyrrole-2-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269580
(3S)-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269779
N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
CID 170425698
(3S)-1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269744
(3S)-N-(3-cyano-4-fluorophenyl)-1-[5-(4,6-dimethylpyrimidin-5-yl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
CID 163269811
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633265
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide;sulfane
CID 159674800
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
N-(1H-indazol-5-yl)-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072877

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide (CID 163269658) is (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide is Cn1cc(-c2ccc(C(=O)N3CC[C@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)[nH]2)c2ncccc21.
What is the InChIKey of (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is YHXQKTOINYGMON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-31-12-15(22-20(31)3-2-7-28-22)18-4-5-19(30-18)24(34)32-8-6-13(11-32)23(33)29-14-9-16(25)21(27)17(26)10-14/h2-5,7,9-10,12-13,30H,6,8,11H2,1H3,(H,29,33)/t13-/m0/s1.
What are the key properties of (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 163269658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).