2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C45H50N12O2 — CID 157222095

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C23H26N6O.C22H24N6O/c1-4-27-9-7-17(8-10-27)18-5-6-22-25-19(12-23(30)28(22)14-18)20-11-21-16(3)24-15(2)13-29(21)26-20;1-14-12-28-20(15(2)23-14)10-19(25-28)18-11-22(29)27-13-17(4-5-21(27)24-18)16-6-8-26(3)9-7-16/h5-6,11-14,17H,4,7-10H2,1-3H3;4-5,10-13,16H,6-9H2,1-3H3
InChIKeyATCORZLFQFUBLH-UHFFFAOYSA-N
MW790.98 g/mol
LogP6.05
Rot. Bonds5

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157222095) has the molecular formula C45H50N12O2 and a molecular weight of 790.98 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID157222095
Molecular FormulaC45H50N12O2
Molecular Weight790.98 g/mol
Exact Mass790.42
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C23H26N6O.C22H24N6O/c1-4-27-9-7-17(8-10-27)18-5-6-22-25-19(12-23(30)28(22)14-18)20-11-21-16(3)24-15(2)13-29(21)26-20;1-14-12-28-20(15(2)23-14)10-19(25-28)18-11-22(29)27-13-17(4-5-21(27)24-18)16-6-8-26(3)9-7-16/h5-6,11-14,17H,4,7-10H2,1-3H3;4-5,10-13,16H,6-9H2,1-3H3
InChIKeyATCORZLFQFUBLH-UHFFFAOYSA-N
XLogP6.05
TPSA135.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.98
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

RG7800
CID 89741565
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89739992
2-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740612
7-(4-Cyclopropylpiperazin-1-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740631
2-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740996
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741029
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741106
7-[4-(Dimethylamino)piperidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741197
2-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741251
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741275
7-(4-Methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741446
Unii-MV8T2mck57
CID 89741632

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157222095) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2c(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ATCORZLFQFUBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H24N6O/c1-4-27-9-7-17(8-10-27)18-5-6-22-25-19(12-23(30)28(22)14-18)20-11-21-16(3)24-15(2)13-29(21)26-20;1-14-12-28-20(15(2)23-14)10-19(25-28)18-11-22(29)27-13-17(4-5-21(27)24-18)16-6-8-26(3)9-7-16/h5-6,11-14,17H,4,7-10H2,1-3H3;4-5,10-13,16H,6-9H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 790.98 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157222095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).