3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

C22H19N5O — CID 123427419

IUPAC3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCC1NNc2cc(-c3ccc(Cn4cnc5ncccc5c4=O)cc3)ccc21
InChIInChI=1S/C22H19N5O/c1-14-18-9-8-17(11-20(18)26-25-14)16-6-4-15(5-7-16)12-27-13-24-21-19(22(27)28)3-2-10-23-21/h2-11,13-14,25-26H,12H2,1H3
InChIKeyVCEVMTJYLRHNQU-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.50
Rot. Bonds3

About 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 123427419) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID123427419
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCC1NNc2cc(-c3ccc(Cn4cnc5ncccc5c4=O)cc3)ccc21
InChIInChI=1S/C22H19N5O/c1-14-18-9-8-17(11-20(18)26-25-14)16-6-4-15(5-7-16)12-27-13-24-21-19(22(27)28)3-2-10-23-21/h2-11,13-14,25-26H,12H2,1H3
InChIKeyVCEVMTJYLRHNQU-UHFFFAOYSA-N
XLogP3.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 123427419) is 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is CC1NNc2cc(-c3ccc(Cn4cnc5ncccc5c4=O)cc3)ccc21.
What is the InChIKey of 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is VCEVMTJYLRHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-18-9-8-17(11-20(18)26-25-14)16-6-4-15(5-7-16)12-27-13-24-21-19(22(27)28)3-2-10-23-21/h2-11,13-14,25-26H,12H2,1H3.
What are the key properties of 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 123427419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).