5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21ClFN7O2 — CID 137457909

About 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457909) has the molecular formula C19H21ClFN7O2 and a molecular weight of 433.88 g/mol. Its IUPAC name is 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137457909
• Molecular Formula: C19H21ClFN7O2
• Molecular Weight: 433.88 g/mol
• Exact Mass: 433.14
• IUPAC Name: 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(Cl)cnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C19H21ClFN7O2/c1-9(2)30-19-14(4-10(20)7-23-19)25-15-6-16(22-3)28-17(27-15)11(8-24-28)18(29)26-13-5-12(13)21/h4,6-9,12-13,22H,5H2,1-3H3,(H,25,27)(H,26,29)/t12-,13+/m1/s1
• InChIKey: YIIXSMQDZRYAHX-OLZOCXBDSA-N
• XLogP: 3.19
• TPSA: 105.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.88
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457909) is 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

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

The InChIKey is YIIXSMQDZRYAHX-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H21ClFN7O2/c1-9(2)30-19-14(4-10(20)7-23-19)25-15-6-16(22-3)28-17(27-15)11(8-24-28)18(29)26-13-5-12(13)21/h4,6-9,12-13,22H,5H2,1-3H3,(H,25,27)(H,26,29)/t12-,13+/m1/s1.

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

5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.88 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).