N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine

C23H23N9 — CID 118217077

About N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine

N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine (PubChem CID 118217077) has the molecular formula C23H23N9 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
• PubChem CID: 118217077
• Molecular Formula: C23H23N9
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.21
• IUPAC Name: N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
• SMILES: CC(C)c1cccc(Cc2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)n1
• InChI: InChI=1S/C23H23N9/c1-15(2)18-6-4-5-17(26-18)14-22-30-29-21-13-16(9-12-32(21)22)19-7-10-24-23(27-19)28-20-8-11-25-31(20)3/h4-13,15H,14H2,1-3H3,(H,24,27,28)
• InChIKey: VVXHBLGGVWHKJH-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 98.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?

The IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine (CID 118217077) is N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine.

What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?

The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine is CC(C)c1cccc(Cc2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)n1.

What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?

The InChIKey is VVXHBLGGVWHKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9/c1-15(2)18-6-4-5-17(26-18)14-22-30-29-21-13-16(9-12-32(21)22)19-7-10-24-23(27-19)28-20-8-11-25-31(20)3/h4-13,15H,14H2,1-3H3,(H,24,27,28).

What are the key properties of N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?

N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine has a molecular weight of 425.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpyrazol-3-yl)-4-[3-[(6-propan-2-yl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 118217077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).