4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one

C17H16ClN7O — CID 172905550

IUPAC4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one
SMILESCn1ncc(N2CC3CC(C2)N3c2ncnc3ncccc23)c(Cl)c1=O
InChIInChI=1S/C17H16ClN7O/c1-23-17(26)14(18)13(6-22-23)24-7-10-5-11(8-24)25(10)16-12-3-2-4-19-15(12)20-9-21-16/h2-4,6,9-11H,5,7-8H2,1H3
InChIKeyIGDFCIFDQDVMHR-UHFFFAOYSA-N
MW369.82 g/mol
LogP1.24
Rot. Bonds2

About 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one

4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one (PubChem CID 172905550) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one
PubChem CID172905550
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC Name4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one
SMILESCn1ncc(N2CC3CC(C2)N3c2ncnc3ncccc23)c(Cl)c1=O
InChIInChI=1S/C17H16ClN7O/c1-23-17(26)14(18)13(6-22-23)24-7-10-5-11(8-24)25(10)16-12-3-2-4-19-15(12)20-9-21-16/h2-4,6,9-11H,5,7-8H2,1H3
InChIKeyIGDFCIFDQDVMHR-UHFFFAOYSA-N
XLogP1.24
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one (CID 172905550) is 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one is Cn1ncc(N2CC3CC(C2)N3c2ncnc3ncccc23)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one?
The InChIKey is IGDFCIFDQDVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O/c1-23-17(26)14(18)13(6-22-23)24-7-10-5-11(8-24)25(10)16-12-3-2-4-19-15(12)20-9-21-16/h2-4,6,9-11H,5,7-8H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one has a molecular weight of 369.82 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(6-pyrido[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one is sourced from PubChem (CID 172905550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).