2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

C43H45N11O2 — CID 134543459

IUPAC2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C22H23N5O.C21H22N6O/c1-14-9-17(10-18-12-26(2)25-22(14)18)19-11-21(28)27-13-16(3-4-20(27)24-19)15-5-7-23-8-6-15;1-14-9-15(10-16-12-25(2)24-21(14)16)18-11-20(28)27-13-17(3-4-19(27)23-18)26-7-5-22-6-8-26/h3-4,9-13,15,23H,5-8H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3
InChIKeyBNVFHFCVRQSTAX-UHFFFAOYSA-N
MW747.91 g/mol
LogP4.99
Rot. Bonds4

About 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 134543459) has the molecular formula C43H45N11O2 and a molecular weight of 747.91 g/mol. Its IUPAC name is 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID134543459
Molecular FormulaC43H45N11O2
Molecular Weight747.91 g/mol
Exact Mass747.38
IUPAC Name2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C22H23N5O.C21H22N6O/c1-14-9-17(10-18-12-26(2)25-22(14)18)19-11-21(28)27-13-16(3-4-20(27)24-19)15-5-7-23-8-6-15;1-14-9-15(10-16-12-25(2)24-21(14)16)18-11-20(28)27-13-17(3-4-19(27)23-18)26-7-5-22-6-8-26/h3-4,9-13,15,23H,5-8H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3
InChIKeyBNVFHFCVRQSTAX-UHFFFAOYSA-N
XLogP4.99
TPSA131.68 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.91
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 134543459) is 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BNVFHFCVRQSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C21H22N6O/c1-14-9-17(10-18-12-26(2)25-22(14)18)19-11-21(28)27-13-16(3-4-20(27)24-19)15-5-7-23-8-6-15;1-14-9-15(10-16-12-25(2)24-21(14)16)18-11-20(28)27-13-17(3-4-19(27)23-18)26-7-5-22-6-8-26/h3-4,9-13,15,23H,5-8H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3.
What are the key properties of 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 747.91 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134543459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).