7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine

C43H50N12O — CID 137374010

IUPAC7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCc1cc(C2=CCN3C=C(N4CCN(C)CC4)C=CC3=N2)cc2cn(C)nc12.Cc1cn2nc(-c3cc(=O)n4cc(CCCN(C)C)ccc4n3)cc2c(C)n1
InChIInChI=1S/C22H26N6.C21H24N6O/c1-16-12-17(13-18-14-26(3)24-22(16)18)20-6-7-28-15-19(4-5-21(28)23-20)27-10-8-25(2)9-11-27;1-14-12-27-19(15(2)22-14)10-18(24-27)17-11-21(28)26-13-16(6-5-9-25(3)4)7-8-20(26)23-17/h4-6,12-15H,7-11H2,1-3H3;7-8,10-13H,5-6,9H2,1-4H3
InChIKeySMDXTTBZTIZKRD-UHFFFAOYSA-N
MW750.96 g/mol
LogP5.11
Rot. Bonds7

About 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine

7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 137374010) has the molecular formula C43H50N12O and a molecular weight of 750.96 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID137374010
Molecular FormulaC43H50N12O
Molecular Weight750.96 g/mol
Exact Mass750.42
IUPAC Name7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCc1cc(C2=CCN3C=C(N4CCN(C)CC4)C=CC3=N2)cc2cn(C)nc12.Cc1cn2nc(-c3cc(=O)n4cc(CCCN(C)C)ccc4n3)cc2c(C)n1
InChIInChI=1S/C22H26N6.C21H24N6O/c1-16-12-17(13-18-14-26(3)24-22(16)18)20-6-7-28-15-19(4-5-21(28)23-20)27-10-8-25(2)9-11-27;1-14-12-27-19(15(2)22-14)10-18(24-27)17-11-21(28)26-13-16(6-5-9-25(3)4)7-8-20(26)23-17/h4-6,12-15H,7-11H2,1-3H3;7-8,10-13H,5-6,9H2,1-4H3
InChIKeySMDXTTBZTIZKRD-UHFFFAOYSA-N
XLogP5.11
TPSA107.70 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.96
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine (CID 137374010) is 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine is Cc1cc(C2=CCN3C=C(N4CCN(C)CC4)C=CC3=N2)cc2cn(C)nc12.Cc1cn2nc(-c3cc(=O)n4cc(CCCN(C)C)ccc4n3)cc2c(C)n1.
What is the InChIKey of 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is SMDXTTBZTIZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.C21H24N6O/c1-16-12-17(13-18-14-26(3)24-22(16)18)20-6-7-28-15-19(4-5-21(28)23-20)27-10-8-25(2)9-11-27;1-14-12-27-19(15(2)22-14)10-18(24-27)17-11-21(28)26-13-16(6-5-9-25(3)4)7-8-20(26)23-17/h4-6,12-15H,7-11H2,1-3H3;7-8,10-13H,5-6,9H2,1-4H3.
What are the key properties of 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 750.96 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propyl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 137374010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).