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

C20H21F2N7O2 — CID 137441508

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

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441508) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441508
• Molecular Formula: C20H21F2N7O2
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.17
• IUPAC Name: 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CC(F)(F)C3)cnn12
• InChI: InChI=1S/C20H21F2N7O2/c1-23-16-7-15(27-14-3-2-6-24-19(14)31-12-4-5-12)28-17-13(10-25-29(16)17)18(30)26-11-8-20(21,22)9-11/h2-3,6-7,10-12,23H,4-5,8-9H2,1H3,(H,26,30)(H,27,28)
• InChIKey: GUEJQYAMITVTAM-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 105.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441508) is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CC(F)(F)C3)cnn12.

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

The InChIKey is GUEJQYAMITVTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-23-16-7-15(27-14-3-2-6-24-19(14)31-12-4-5-12)28-17-13(10-25-29(16)17)18(30)26-11-8-20(21,22)9-11/h2-3,6-7,10-12,23H,4-5,8-9H2,1H3,(H,26,30)(H,27,28).

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

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).