6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine

C21H23N7O — CID 56953085

About 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine

6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56953085) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 56953085
• Molecular Formula: C21H23N7O
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.20
• IUPAC Name: 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1c(OC[C@H]2C[C@@H]2c2ccccn2)nc2ccnn2c1NCc1cnn(C)c1
• InChI: InChI=1S/C21H23N7O/c1-14-20(23-10-15-11-25-27(2)12-15)28-19(6-8-24-28)26-21(14)29-13-16-9-17(16)18-5-3-4-7-22-18/h3-8,11-12,16-17,23H,9-10,13H2,1-2H3/t16-,17+/m1/s1
• InChIKey: QPOODTYGBPAMRF-SJORKVTESA-N
• XLogP: 2.96
• TPSA: 82.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56953085) is 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1c(OC[C@H]2C[C@@H]2c2ccccn2)nc2ccnn2c1NCc1cnn(C)c1.

What is the InChIKey of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is QPOODTYGBPAMRF-SJORKVTESA-N. The full InChI is InChI=1S/C21H23N7O/c1-14-20(23-10-15-11-25-27(2)12-15)28-19(6-8-24-28)26-21(14)29-13-16-9-17(16)18-5-3-4-7-22-18/h3-8,11-12,16-17,23H,9-10,13H2,1-2H3/t16-,17+/m1/s1.

What are the key properties of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?

6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 389.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56953085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).