N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N7O2 — CID 137457779

About N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457779) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137457779
• Molecular Formula: C20H25N7O2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.21
• IUPAC Name: N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(C)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C20H25N7O2/c1-11(2)29-20-15(7-12(3)9-22-20)25-16-8-17(21-4)27-18(26-16)14(10-23-27)19(28)24-13-5-6-13/h7-11,13,21H,5-6H2,1-4H3,(H,24,28)(H,25,26)
• InChIKey: KKSJSCZJNDCDHC-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 105.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457779) is N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12.

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

The InChIKey is KKSJSCZJNDCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-11(2)29-20-15(7-12(3)9-22-20)25-16-8-17(21-4)27-18(26-16)14(10-23-27)19(28)24-13-5-6-13/h7-11,13,21H,5-6H2,1-4H3,(H,24,28)(H,25,26).

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

N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).