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

C23H28FN7O4 — CID 146560381

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

N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560381) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclobutyl]-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-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560381
• Molecular Formula: C23H28FN7O4
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.22
• IUPAC Name: N-[(2S)-2-fluorocyclobutyl]-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)NC3CC[C@@H]3F)cnn12
• InChI: InChI=1S/C23H28FN7O4/c1-25-20-10-19(29-21-13(11-26-31(20)21)22(32)28-15-6-5-14(15)24)27-16-4-3-8-30(23(16)33)17-7-9-35-12-18(17)34-2/h3-4,8,10-11,14-15,17-18,25H,5-7,9,12H2,1-2H3,(H,27,29)(H,28,32)/t14-,15?,17+,18-/m0/s1
• InChIKey: LNMREBSQNNGVCO-NDNZDJEJSA-N
• XLogP: 1.88
• TPSA: 123.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluorocyclobutyl]-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-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560381) is N-[(2S)-2-fluorocyclobutyl]-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-[(2S)-2-fluorocyclobutyl]-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-[(2S)-2-fluorocyclobutyl]-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)NC3CC[C@@H]3F)cnn12.

What is the InChIKey of N-[(2S)-2-fluorocyclobutyl]-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 LNMREBSQNNGVCO-NDNZDJEJSA-N. The full InChI is InChI=1S/C23H28FN7O4/c1-25-20-10-19(29-21-13(11-26-31(20)21)22(32)28-15-6-5-14(15)24)27-16-4-3-8-30(23(16)33)17-7-9-35-12-18(17)34-2/h3-4,8,10-11,14-15,17-18,25H,5-7,9,12H2,1-2H3,(H,27,29)(H,28,32)/t14-,15?,17+,18-/m0/s1.

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

N-[(2S)-2-fluorocyclobutyl]-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 485.52 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-fluorocyclobutyl]-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 146560381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).