9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C26H29N5O — CID 146586235

IUPAC9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C2=CC(C)(C)NC(C)(C)C2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C26H29N5O/c1-16-9-18(20-12-25(2,3)29-26(4,5)13-20)15-31-23(32)11-22(27-24(16)31)17-7-8-21-19(10-17)14-30(6)28-21/h7-12,14-15,29H,13H2,1-6H3
InChIKeyVVUCBPBZMBCHAK-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.49
Rot. Bonds2

About 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 146586235) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID146586235
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C2=CC(C)(C)NC(C)(C)C2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C26H29N5O/c1-16-9-18(20-12-25(2,3)29-26(4,5)13-20)15-31-23(32)11-22(27-24(16)31)17-7-8-21-19(10-17)14-30(6)28-21/h7-12,14-15,29H,13H2,1-6H3
InChIKeyVVUCBPBZMBCHAK-UHFFFAOYSA-N
XLogP4.49
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 146586235) is 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C2=CC(C)(C)NC(C)(C)C2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.
What is the InChIKey of 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VVUCBPBZMBCHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-16-9-18(20-12-25(2,3)29-26(4,5)13-20)15-31-23(32)11-22(27-24(16)31)17-7-8-21-19(10-17)14-30(6)28-21/h7-12,14-15,29H,13H2,1-6H3.
What are the key properties of 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 427.55 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(2-methylindazol-5-yl)-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146586235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).