[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C16H15ClN4O2 — CID 58897044

IUPAC[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2c(Cl)cnc3[nH]ccc23)c[nH]1)N1CCC(O)C1
InChIInChI=1S/C16H15ClN4O2/c17-12-7-20-15-11(1-3-18-15)14(12)9-5-13(19-6-9)16(23)21-4-2-10(22)8-21/h1,3,5-7,10,19,22H,2,4,8H2,(H,18,20)
InChIKeyUSYGRALWXCYHLL-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.42
Rot. Bonds2

About [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 58897044) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID58897044
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2c(Cl)cnc3[nH]ccc23)c[nH]1)N1CCC(O)C1
InChIInChI=1S/C16H15ClN4O2/c17-12-7-20-15-11(1-3-18-15)14(12)9-5-13(19-6-9)16(23)21-4-2-10(22)8-21/h1,3,5-7,10,19,22H,2,4,8H2,(H,18,20)
InChIKeyUSYGRALWXCYHLL-UHFFFAOYSA-N
XLogP2.42
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480
4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 58897089
[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
CID 66261197
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
[4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 10222483
1-[(3R)-3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 58896960
(Z)-3-(2,4-dichlorophenyl)-3-[5-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enenitrile
CID 174729702
2-(2,6-dichlorophenyl)-3-[5-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enenitrile
CID 123717848
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
1-(4-hydroxypiperidin-1-yl)-2-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)ethanone
CID 135142704
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 58897044) is [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1cc(-c2c(Cl)cnc3[nH]ccc23)c[nH]1)N1CCC(O)C1.
What is the InChIKey of [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is USYGRALWXCYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-12-7-20-15-11(1-3-18-15)14(12)9-5-13(19-6-9)16(23)21-4-2-10(22)8-21/h1,3,5-7,10,19,22H,2,4,8H2,(H,18,20).
What are the key properties of [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 330.78 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 58897044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).