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

C21H24FN7O3 — CID 142523806

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523806) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142523806
• Molecular Formula: C21H24FN7O3
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.19
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccnc2OC2CC(OC)C2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C21H24FN7O3/c1-23-18-9-17(26-15-4-3-5-24-21(15)32-12-6-11(7-12)31-2)28-19-13(10-25-29(18)19)20(30)27-16-8-14(16)22/h3-5,9-12,14,16,23H,6-8H2,1-2H3,(H,26,28)(H,27,30)/t11?,12?,14-,16+/m1/s1
• InChIKey: VBYVESUTHKKTQB-QNLLCVSISA-N
• XLogP: 2.31
• TPSA: 114.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523806) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CC(OC)C2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

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

The InChIKey is VBYVESUTHKKTQB-QNLLCVSISA-N. The full InChI is InChI=1S/C21H24FN7O3/c1-23-18-9-17(26-15-4-3-5-24-21(15)32-12-6-11(7-12)31-2)28-19-13(10-25-29(18)19)20(30)27-16-8-14(16)22/h3-5,9-12,14,16,23H,6-8H2,1-2H3,(H,26,28)(H,27,30)/t11?,12?,14-,16+/m1/s1.

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).