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

C18H17N3O — CID 58087868

IUPACpyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2c[nH]c3ncccc23)cc1)N1CCCC1
InChIInChI=1S/C18H17N3O/c22-18(21-10-1-2-11-21)14-7-5-13(6-8-14)16-12-20-17-15(16)4-3-9-19-17/h3-9,12H,1-2,10-11H2,(H,19,20)
InChIKeyLRBNLPJUNDNWSV-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.47
Rot. Bonds2

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

pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone (PubChem CID 58087868) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
PubChem CID58087868
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Namepyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2c[nH]c3ncccc23)cc1)N1CCCC1
InChIInChI=1S/C18H17N3O/c22-18(21-10-1-2-11-21)14-7-5-13(6-8-14)16-12-20-17-15(16)4-3-9-19-17/h3-9,12H,1-2,10-11H2,(H,19,20)
InChIKeyLRBNLPJUNDNWSV-UHFFFAOYSA-N
XLogP3.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone (CID 58087868) is pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone is O=C(c1ccc(-c2c[nH]c3ncccc23)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone?
The InChIKey is LRBNLPJUNDNWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(21-10-1-2-11-21)14-7-5-13(6-8-14)16-12-20-17-15(16)4-3-9-19-17/h3-9,12H,1-2,10-11H2,(H,19,20).
What are the key properties of pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone?
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone has a molecular weight of 291.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone is sourced from PubChem (CID 58087868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).