2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one

C27H35N7O — CID 175561645

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N(C)C5CCN(C)C(C)(C)C5C)cc(C)c4n3)cc2c(C)n1
InChIInChI=1S/C27H35N7O/c1-16-11-20(32(8)23-9-10-31(7)27(5,6)18(23)3)15-33-25(35)13-21(29-26(16)33)22-12-24-19(4)28-17(2)14-34(24)30-22/h11-15,18,23H,9-10H2,1-8H3
InChIKeyWKQVNZAXXFHMNQ-UHFFFAOYSA-N
MW473.63 g/mol
LogP3.88
Rot. Bonds3

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175561645) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID175561645
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N(C)C5CCN(C)C(C)(C)C5C)cc(C)c4n3)cc2c(C)n1
InChIInChI=1S/C27H35N7O/c1-16-11-20(32(8)23-9-10-31(7)27(5,6)18(23)3)15-33-25(35)13-21(29-26(16)33)22-12-24-19(4)28-17(2)14-34(24)30-22/h11-15,18,23H,9-10H2,1-8H3
InChIKeyWKQVNZAXXFHMNQ-UHFFFAOYSA-N
XLogP3.88
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one (CID 175561645) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one is Cc1cn2nc(-c3cc(=O)n4cc(N(C)C5CCN(C)C(C)(C)C5C)cc(C)c4n3)cc2c(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WKQVNZAXXFHMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-16-11-20(32(8)23-9-10-31(7)27(5,6)18(23)3)15-33-25(35)13-21(29-26(16)33)22-12-24-19(4)28-17(2)14-34(24)30-22/h11-15,18,23H,9-10H2,1-8H3.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 473.63 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175561645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).