5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N7O3 — CID 137441489

About 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441489) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441489
• Molecular Formula: C21H25N7O3
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.20
• IUPAC Name: 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CCCC3O)cnn12
• InChI: InChI=1S/C21H25N7O3/c1-22-18-10-17(25-15-5-3-9-23-21(15)31-12-7-8-12)27-19-13(11-24-28(18)19)20(30)26-14-4-2-6-16(14)29/h3,5,9-12,14,16,22,29H,2,4,6-8H2,1H3,(H,25,27)(H,26,30)
• InChIKey: YZHZXGFUTLRBSX-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 125.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441489) is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CCCC3O)cnn12.

What is the InChIKey of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YZHZXGFUTLRBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-22-18-10-17(25-15-5-3-9-23-21(15)31-12-7-8-12)27-19-13(11-24-28(18)19)20(30)26-14-4-2-6-16(14)29/h3,5,9-12,14,16,22,29H,2,4,6-8H2,1H3,(H,25,27)(H,26,30).

What are the key properties of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).