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

C23H23FN8O3 — CID 137449820

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

5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449820) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449820
• Molecular Formula: C23H23FN8O3
• Molecular Weight: 478.49 g/mol
• Exact Mass: 478.19
• IUPAC Name: 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CCOCC3)cnn12
• InChI: InChI=1S/C23H23FN8O3/c1-25-19-12-18(29-17-5-3-9-31(23(17)34)21-16(24)4-2-8-26-21)30-20-15(13-27-32(19)20)22(33)28-14-6-10-35-11-7-14/h2-5,8-9,12-14,25H,6-7,10-11H2,1H3,(H,28,33)(H,29,30)
• InChIKey: ZGSCDMJBWWYDKU-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 127.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449820) is 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CCOCC3)cnn12.

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

The InChIKey is ZGSCDMJBWWYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-25-19-12-18(29-17-5-3-9-31(23(17)34)21-16(24)4-2-8-26-21)30-20-15(13-27-32(19)20)22(33)28-14-6-10-35-11-7-14/h2-5,8-9,12-14,25H,6-7,10-11H2,1H3,(H,28,33)(H,29,30).

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

5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).