6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C18H18BrN5O — CID 5330283

IUPAC6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12
InChIInChI=1S/C18H18BrN5O/c1-11-13-10-21-18(22-14-8-4-5-9-20-14)23-16(13)24(17(25)15(11)19)12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21,22,23)
InChIKeyQZDZRDATWGQUSE-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.12
Rot. Bonds3

About 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330283) has the molecular formula C18H18BrN5O and a molecular weight of 400.28 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330283
Molecular FormulaC18H18BrN5O
Molecular Weight400.28 g/mol
Exact Mass399.07
IUPAC Name6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12
InChIInChI=1S/C18H18BrN5O/c1-11-13-10-21-18(22-14-8-4-5-9-20-14)23-16(13)24(17(25)15(11)19)12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21,22,23)
InChIKeyQZDZRDATWGQUSE-UHFFFAOYSA-N
XLogP4.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5330283) is 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12.
What is the InChIKey of 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QZDZRDATWGQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O/c1-11-13-10-21-18(22-14-8-4-5-9-20-14)23-16(13)24(17(25)15(11)19)12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21,22,23).
What are the key properties of 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 400.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).