3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one

C17H19N5O — CID 71735128

IUPAC3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(C2CC(Nc3ncccn3)C2)c2ncccc21
InChIInChI=1S/C17H19N5O/c1-17(2)13-5-3-6-18-14(13)22(15(17)23)12-9-11(10-12)21-16-19-7-4-8-20-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyJJTIHJJYILSDPQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.14
Rot. Bonds3

About 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one

3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one (PubChem CID 71735128) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one
PubChem CID71735128
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(C2CC(Nc3ncccn3)C2)c2ncccc21
InChIInChI=1S/C17H19N5O/c1-17(2)13-5-3-6-18-14(13)22(15(17)23)12-9-11(10-12)21-16-19-7-4-8-20-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyJJTIHJJYILSDPQ-UHFFFAOYSA-N
XLogP2.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one (CID 71735128) is 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)N(C2CC(Nc3ncccn3)C2)c2ncccc21.
What is the InChIKey of 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JJTIHJJYILSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(2)13-5-3-6-18-14(13)22(15(17)23)12-9-11(10-12)21-16-19-7-4-8-20-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one?
3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(pyrimidin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 71735128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).