2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one

C22H24ClN3O — CID 70682539

IUPAC2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1[nH]c2ncccc2c1C1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24ClN3O/c1-14-19(18-5-4-11-24-20(18)25-14)15-10-12-26(13-15)21(27)22(2,3)16-6-8-17(23)9-7-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,24,25)
InChIKeyMVTLFHFSFGMNSR-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.82
Rot. Bonds3

About 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one

2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 70682539) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID70682539
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1[nH]c2ncccc2c1C1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24ClN3O/c1-14-19(18-5-4-11-24-20(18)25-14)15-10-12-26(13-15)21(27)22(2,3)16-6-8-17(23)9-7-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,24,25)
InChIKeyMVTLFHFSFGMNSR-UHFFFAOYSA-N
XLogP4.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
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2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
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CID 57750315
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4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
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2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 25066846

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one (CID 70682539) is 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one is Cc1[nH]c2ncccc2c1C1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is MVTLFHFSFGMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-14-19(18-5-4-11-24-20(18)25-14)15-10-12-26(13-15)21(27)22(2,3)16-6-8-17(23)9-7-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one?
2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 381.91 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-1-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 70682539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).