3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile

C24H25N9O — CID 162349482

About 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile

3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile (PubChem CID 162349482) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile.

Molecular Properties

• Compound Name: 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
• PubChem CID: 162349482
• Molecular Formula: C24H25N9O
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.22
• IUPAC Name: 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
• SMILES: Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cc4n(n3)CCC(C)(C)C4O)nn2)nc(N)n1
• InChI: InChI=1S/C24H25N9O/c1-14-15(11-25)5-4-6-17(14)18-10-19(28-23(26)27-18)20-13-32(31-29-20)12-16-9-21-22(34)24(2,3)7-8-33(21)30-16/h4-6,9-10,13,22,34H,7-8,12H2,1-3H3,(H2,26,27,28)
• InChIKey: YWDQXHXBAJVPOD-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 144.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.53
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile?

The IUPAC name of 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile (CID 162349482) is 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile.

What is the SMILES notation for 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile?

The canonical SMILES for 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile is Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cc4n(n3)CCC(C)(C)C4O)nn2)nc(N)n1.

What is the InChIKey of 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile?

The InChIKey is YWDQXHXBAJVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-14-15(11-25)5-4-6-17(14)18-10-19(28-23(26)27-18)20-13-32(31-29-20)12-16-9-21-22(34)24(2,3)7-8-33(21)30-16/h4-6,9-10,13,22,34H,7-8,12H2,1-3H3,(H2,26,27,28).

What are the key properties of 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile?

3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile has a molecular weight of 455.53 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-6-[1-[(4-hydroxy-5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile is sourced from PubChem (CID 162349482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).