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

C27H34N6O — CID 175561640

IUPAC9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N(C)C2CCN(C)C(C)(C)C2C)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C27H34N6O/c1-17-12-21(32(7)24-10-11-30(5)27(3,4)18(24)2)16-33-25(34)14-23(28-26(17)33)19-8-9-22-20(13-19)15-31(6)29-22/h8-9,12-16,18,24H,10-11H2,1-7H3
InChIKeyHUIQGONFOKDZCY-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.11
Rot. Bonds3

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

9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175561640) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID175561640
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N(C)C2CCN(C)C(C)(C)C2C)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C27H34N6O/c1-17-12-21(32(7)24-10-11-30(5)27(3,4)18(24)2)16-33-25(34)14-23(28-26(17)33)19-8-9-22-20(13-19)15-31(6)29-22/h8-9,12-16,18,24H,10-11H2,1-7H3
InChIKeyHUIQGONFOKDZCY-UHFFFAOYSA-N
XLogP4.11
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one (CID 175561640) is 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(N(C)C2CCN(C)C(C)(C)C2C)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.
What is the InChIKey of 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HUIQGONFOKDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-17-12-21(32(7)24-10-11-30(5)27(3,4)18(24)2)16-33-25(34)14-23(28-26(17)33)19-8-9-22-20(13-19)15-31(6)29-22/h8-9,12-16,18,24H,10-11H2,1-7H3.
What are the key properties of 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 458.61 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(2-methylindazol-5-yl)-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175561640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).