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

C21H24N8 — CID 118209522

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

N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine (PubChem CID 118209522) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)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-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
• PubChem CID: 118209522
• Molecular Formula: C21H24N8
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.21
• IUPAC Name: N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
• SMILES: CC(C)C1(Cc2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)CC1
• InChI: InChI=1S/C21H24N8/c1-14(2)21(7-8-21)13-19-27-26-18-12-15(6-11-29(18)19)16-4-9-22-20(24-16)25-17-5-10-23-28(17)3/h4-6,9-12,14H,7-8,13H2,1-3H3,(H,22,24,25)
• InChIKey: SFTXWOLJZBAROK-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 85.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)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-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine (CID 118209522) is N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)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-[(1-propan-2-ylcyclopropyl)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-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine is CC(C)C1(Cc2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)CC1.

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

The InChIKey is SFTXWOLJZBAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-14(2)21(7-8-21)13-19-27-26-18-12-15(6-11-29(18)19)16-4-9-22-20(24-16)25-17-5-10-23-28(17)3/h4-6,9-12,14H,7-8,13H2,1-3H3,(H,22,24,25).

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

N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine has a molecular weight of 388.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 118209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).