7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C23H29N7O — CID 146203186

About 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146203186) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• PubChem CID: 146203186
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• SMILES: Cc1nc(NCc2cnn(Cc3ccc(C(C)(C)C)nc3)c2)cc2c1NC(=O)CN2C
• InChI: InChI=1S/C23H29N7O/c1-15-22-18(29(5)14-21(31)28-22)8-20(27-15)25-10-17-11-26-30(13-17)12-16-6-7-19(24-9-16)23(2,3)4/h6-9,11,13H,10,12,14H2,1-5H3,(H,25,27)(H,28,31)
• InChIKey: IUKZSPLUIVPULP-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The IUPAC name of 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146203186) is 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

What is the SMILES notation for 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The canonical SMILES for 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(Cc3ccc(C(C)(C)C)nc3)c2)cc2c1NC(=O)CN2C.

What is the InChIKey of 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The InChIKey is IUKZSPLUIVPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-15-22-18(29(5)14-21(31)28-22)8-20(27-15)25-10-17-11-26-30(13-17)12-16-6-7-19(24-9-16)23(2,3)4/h6-9,11,13H,10,12,14H2,1-5H3,(H,25,27)(H,28,31).

What are the key properties of 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146203186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).