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

C18H18N4O — CID 166268676

IUPAC(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccnc3[nH]ccc23)C1c1cccnc1
InChIInChI=1S/C18H18N4O/c1-18(2)11-22(15(18)12-4-3-7-19-10-12)17(23)14-6-9-21-16-13(14)5-8-20-16/h3-10,15H,11H2,1-2H3,(H,20,21)
InChIKeyNEPULKRMLXLPKS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.18
Rot. Bonds2

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

(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone (PubChem CID 166268676) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
PubChem CID166268676
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccnc3[nH]ccc23)C1c1cccnc1
InChIInChI=1S/C18H18N4O/c1-18(2)11-22(15(18)12-4-3-7-19-10-12)17(23)14-6-9-21-16-13(14)5-8-20-16/h3-10,15H,11H2,1-2H3,(H,20,21)
InChIKeyNEPULKRMLXLPKS-UHFFFAOYSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
The IUPAC name of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone (CID 166268676) is (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone.
What is the SMILES notation for (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
The canonical SMILES for (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone is CC1(C)CN(C(=O)c2ccnc3[nH]ccc23)C1c1cccnc1.
What is the InChIKey of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
The InChIKey is NEPULKRMLXLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-18(2)11-22(15(18)12-4-3-7-19-10-12)17(23)14-6-9-21-16-13(14)5-8-20-16/h3-10,15H,11H2,1-2H3,(H,20,21).
What are the key properties of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone is sourced from PubChem (CID 166268676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).