5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N7O2 — CID 137441488

About 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441488) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441488
• Molecular Formula: C21H25N7O2
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.21
• IUPAC Name: 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC4(CCC4)C3)cnn12
• InChI: InChI=1S/C21H25N7O2/c1-22-17-9-16(26-15-5-3-8-23-20(15)30-2)27-18-14(12-24-28(17)18)19(29)25-13-10-21(11-13)6-4-7-21/h3,5,8-9,12-13,22H,4,6-7,10-11H2,1-2H3,(H,25,29)(H,26,27)
• InChIKey: DGJPOVXYFGQQAY-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 105.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
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-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441488) is 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC4(CCC4)C3)cnn12.

What is the InChIKey of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DGJPOVXYFGQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-22-17-9-16(26-15-5-3-8-23-20(15)30-2)27-18-14(12-24-28(17)18)19(29)25-13-10-21(11-13)6-4-7-21/h3,5,8-9,12-13,22H,4,6-7,10-11H2,1-2H3,(H,25,29)(H,26,27).

What are the key properties of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).