2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C43H50FN9O6 — CID 167309110

About 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167309110) has the molecular formula C43H50FN9O6 and a molecular weight of 807.93 g/mol. Its IUPAC name is 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167309110
• Molecular Formula: C43H50FN9O6
• Molecular Weight: 807.93 g/mol
• Exact Mass: 807.39
• IUPAC Name: 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCC(CN4CC[C@H](c5ccc6c(N7CCC(=O)NC7=O)nn(C)c6c5)[C@H](O)C4)CC3)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
• InChI: InChI=1S/C43H50FN9O6/c1-24(2)59-37-19-38-45-33(22-51(38)21-30(37)41(56)46-32-5-4-14-52(42(32)57)35-18-31(35)44)26-8-6-25(7-9-26)20-50-15-12-28(36(54)23-50)27-10-11-29-34(17-27)49(3)48-40(29)53-16-13-39(55)47-43(53)58/h4-5,10-11,14,17,19,21-22,24-26,28,31,35-36,54H,6-9,12-13,15-16,18,20,23H2,1-3H3,(H,46,56)(H,47,55,58)/t25?,26?,28-,31-,35+,36-/m1/s1
• InChIKey: CUGFNFFCUYORBS-TUWKRANOSA-N
• XLogP: 5.28
• TPSA: 168.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.93
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 167309110) is 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCC(CN4CC[C@H](c5ccc6c(N7CCC(=O)NC7=O)nn(C)c6c5)[C@H](O)C4)CC3)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.

What is the InChIKey of 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is CUGFNFFCUYORBS-TUWKRANOSA-N. The full InChI is InChI=1S/C43H50FN9O6/c1-24(2)59-37-19-38-45-33(22-51(38)21-30(37)41(56)46-32-5-4-14-52(42(32)57)35-18-31(35)44)26-8-6-25(7-9-26)20-50-15-12-28(36(54)23-50)27-10-11-29-34(17-27)49(3)48-40(29)53-16-13-39(55)47-43(53)58/h4-5,10-11,14,17,19,21-22,24-26,28,31,35-36,54H,6-9,12-13,15-16,18,20,23H2,1-3H3,(H,46,56)(H,47,55,58)/t25?,26?,28-,31-,35+,36-/m1/s1.

What are the key properties of 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 807.93 g/mol, XLogP of 5.28, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167309110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).