2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide

C26H37N9O2 — CID 143997114

IUPAC2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide
SMILESCN1CCn2nc(Nc3cc(N4CCCCC4)nn(C)c3=O)cc2C1.NC(=O)c1cc2n(c1)CCCC2
InChIInChI=1S/C17H25N7O.C9H12N2O/c1-21-8-9-24-13(12-21)10-15(19-24)18-14-11-16(20-22(2)17(14)25)23-6-4-3-5-7-23;10-9(12)7-5-8-3-1-2-4-11(8)6-7/h10-11H,3-9,12H2,1-2H3,(H,18,19);5-6H,1-4H2,(H2,10,12)
InChIKeyRBRWLOFMCPNSGI-UHFFFAOYSA-N
MW507.64 g/mol
LogP2.08
Rot. Bonds4

About 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide

2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide (PubChem CID 143997114) has the molecular formula C26H37N9O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide
PubChem CID143997114
Molecular FormulaC26H37N9O2
Molecular Weight507.64 g/mol
Exact Mass507.31
IUPAC Name2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide
SMILESCN1CCn2nc(Nc3cc(N4CCCCC4)nn(C)c3=O)cc2C1.NC(=O)c1cc2n(c1)CCCC2
InChIInChI=1S/C17H25N7O.C9H12N2O/c1-21-8-9-24-13(12-21)10-15(19-24)18-14-11-16(20-22(2)17(14)25)23-6-4-3-5-7-23;10-9(12)7-5-8-3-1-2-4-11(8)6-7/h10-11H,3-9,12H2,1-2H3,(H,18,19);5-6H,1-4H2,(H2,10,12)
InChIKeyRBRWLOFMCPNSGI-UHFFFAOYSA-N
XLogP2.08
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide?
The IUPAC name of 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide (CID 143997114) is 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide.
What is the SMILES notation for 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide?
The canonical SMILES for 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide is CN1CCn2nc(Nc3cc(N4CCCCC4)nn(C)c3=O)cc2C1.NC(=O)c1cc2n(c1)CCCC2.
What is the InChIKey of 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide?
The InChIKey is RBRWLOFMCPNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O.C9H12N2O/c1-21-8-9-24-13(12-21)10-15(19-24)18-14-11-16(20-22(2)17(14)25)23-6-4-3-5-7-23;10-9(12)7-5-8-3-1-2-4-11(8)6-7/h10-11H,3-9,12H2,1-2H3,(H,18,19);5-6H,1-4H2,(H2,10,12).
What are the key properties of 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide?
2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-piperidin-1-ylpyridazin-3-one;5,6,7,8-tetrahydroindolizine-2-carboxamide is sourced from PubChem (CID 143997114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).