N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27F2N7O4 — CID 146560174

About N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560174) has the molecular formula C23H27F2N7O4 and a molecular weight of 503.51 g/mol. Its IUPAC name is N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560174
• Molecular Formula: C23H27F2N7O4
• Molecular Weight: 503.51 g/mol
• Exact Mass: 503.21
• IUPAC Name: N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@@H]3CCOC[C@@H]3OC)c2=O)nc2c(C(=O)NC3CCC3(F)F)cnn12
• InChI: InChI=1S/C23H27F2N7O4/c1-26-19-10-18(28-14-4-3-8-31(22(14)34)15-6-9-36-12-16(15)35-2)30-20-13(11-27-32(19)20)21(33)29-17-5-7-23(17,24)25/h3-4,8,10-11,15-17,26H,5-7,9,12H2,1-2H3,(H,28,30)(H,29,33)/t15-,16+,17?/m1/s1
• InChIKey: HZBBHPNMWVLQLA-GARXDOFDSA-N
• XLogP: 2.18
• TPSA: 123.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.51
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560174) is N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCOC[C@@H]3OC)c2=O)nc2c(C(=O)NC3CCC3(F)F)cnn12.

What is the InChIKey of N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HZBBHPNMWVLQLA-GARXDOFDSA-N. The full InChI is InChI=1S/C23H27F2N7O4/c1-26-19-10-18(28-14-4-3-8-31(22(14)34)15-6-9-36-12-16(15)35-2)30-20-13(11-27-32(19)20)21(33)29-17-5-7-23(17,24)25/h3-4,8,10-11,15-17,26H,5-7,9,12H2,1-2H3,(H,28,30)(H,29,33)/t15-,16+,17?/m1/s1.

What are the key properties of N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluorocyclobutyl)-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).