5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

C23H28FN7O4 — CID 177200150

About 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 177200150) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
• PubChem CID: 177200150
• Molecular Formula: C23H28FN7O4
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.22
• IUPAC Name: 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCNC[C@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
• InChI: InChI=1S/C23H28FN7O4/c1-25-15-10-18(27-14-4-3-9-31(23(14)33)16-7-8-26-11-12(16)24)29-20-19(15)30-35-21(20)22(32)28-13-5-6-17(13)34-2/h3-4,9-10,12-13,16-17,25-26H,5-8,11H2,1-2H3,(H,27,29)(H,28,32)/t12-,13-,16?,17-/m1/s1
• InChIKey: WLPIHYIXLLLBHB-ZXUCUJMGSA-N
• XLogP: 1.95
• TPSA: 135.34 Ų
• H-Bond Donors: 4
• 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	1.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (CID 177200150) is 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is CNc1cc(Nc2cccn(C3CCNC[C@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12.

What is the InChIKey of 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?

The InChIKey is WLPIHYIXLLLBHB-ZXUCUJMGSA-N. The full InChI is InChI=1S/C23H28FN7O4/c1-25-15-10-18(27-14-4-3-9-31(23(14)33)16-7-8-26-11-12(16)24)29-20-19(15)30-35-21(20)22(32)28-13-5-6-17(13)34-2/h3-4,9-10,12-13,16-17,25-26H,5-8,11H2,1-2H3,(H,27,29)(H,28,32)/t12-,13-,16?,17-/m1/s1.

What are the key properties of 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?

5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(3R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 177200150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).