1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone

C19H19N3O — CID 175807639

IUPAC1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1
InChIInChI=1S/C19H19N3O/c23-18(22-11-1-2-12-22)13-14-3-5-15(6-4-14)16-7-9-20-19-17(16)8-10-21-19/h3-10H,1-2,11-13H2,(H,20,21)
InChIKeyDNDQZDHRRMVITP-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone

1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone (PubChem CID 175807639) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
PubChem CID175807639
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1
InChIInChI=1S/C19H19N3O/c23-18(22-11-1-2-12-22)13-14-3-5-15(6-4-14)16-7-9-20-19-17(16)8-10-21-19/h3-10H,1-2,11-13H2,(H,20,21)
InChIKeyDNDQZDHRRMVITP-UHFFFAOYSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
CID 175807892
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 58980061
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560723
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
N-[(2,6-dichlorophenyl)methyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 24857634
N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 164603331
1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
CID 170449570

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone (CID 175807639) is 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone is O=C(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
The InChIKey is DNDQZDHRRMVITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18(22-11-1-2-12-22)13-14-3-5-15(6-4-14)16-7-9-20-19-17(16)8-10-21-19/h3-10H,1-2,11-13H2,(H,20,21).
What are the key properties of 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone is sourced from PubChem (CID 175807639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).