[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone

C22H25ClN4O2 — CID 146430192

IUPAC[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone
SMILESC[C@]1(c2cccc(Cl)c2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4)C3)cnc2N1
InChIInChI=1S/C22H25ClN4O2/c1-22(17-3-2-4-18(23)10-17)11-15-9-16(12-24-20(15)25-22)21(28)26-6-5-19(13-26)27-7-8-29-14-27/h2-4,9-10,12,19H,5-8,11,13-14H2,1H3,(H,24,25)/t19-,22+/m0/s1
InChIKeyZNZRAFKHNXUEDE-SIKLNZKXSA-N
MW412.92 g/mol
LogP3.12
Rot. Bonds3

About [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone

[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 146430192) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID146430192
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone
SMILESC[C@]1(c2cccc(Cl)c2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4)C3)cnc2N1
InChIInChI=1S/C22H25ClN4O2/c1-22(17-3-2-4-18(23)10-17)11-15-9-16(12-24-20(15)25-22)21(28)26-6-5-19(13-26)27-7-8-29-14-27/h2-4,9-10,12,19H,5-8,11,13-14H2,1H3,(H,24,25)/t19-,22+/m0/s1
InChIKeyZNZRAFKHNXUEDE-SIKLNZKXSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

N-[(3S)-1-[2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146430085
3-[(3S)-1-[2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146430135
N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 146436304
N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 146430205
N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 155392212
N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430206
(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 146421619
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146430126
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone (CID 146430192) is [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone is C[C@]1(c2cccc(Cl)c2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4)C3)cnc2N1.
What is the InChIKey of [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZNZRAFKHNXUEDE-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-22(17-3-2-4-18(23)10-17)11-15-9-16(12-24-20(15)25-22)21(28)26-6-5-19(13-26)27-7-8-29-14-27/h2-4,9-10,12,19H,5-8,11,13-14H2,1H3,(H,24,25)/t19-,22+/m0/s1.
What are the key properties of [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone?
[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 412.92 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146430192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).