carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

C47H45ClN8O7 — CID 159873303

About carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (PubChem CID 159873303) has the molecular formula C47H45ClN8O7 and a molecular weight of 869.38 g/mol. Its IUPAC name is carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
• PubChem CID: 159873303
• Molecular Formula: C47H45ClN8O7
• Molecular Weight: 869.38 g/mol
• Exact Mass: 868.31
• IUPAC Name: carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
• SMILES: CC(C)n1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(Cl)cc21.COC(=O)c1cc2c(cnn2C(C)C)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.[C-]#[O+]
• InChI: InChI=1S/C24H24N4O4.C22H21ClN4O2.CO/c1-15(2)28-20-13-19(22(29)32-4)26-21(18(20)14-25-28)17-7-5-6-16(12-17)8-9-24(31)10-11-27(3)23(24)30;1-14(2)27-18-12-19(23)25-20(17(18)13-24-27)16-6-4-5-15(11-16)7-8-22(29)9-10-26(3)21(22)28;1-2/h5-7,12-15,31H,10-11H2,1-4H3;4-6,11-14,29H,9-10H2,1-3H3;/t24-;22-;/m00./s1
• InChIKey: NSOVILCWVJQWHJ-XXZSVDGWSA-N
• XLogP: 5.65
• TPSA: 188.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.38
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?

The IUPAC name of carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (CID 159873303) is carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.

What is the SMILES notation for carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?

The canonical SMILES for carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is CC(C)n1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(Cl)cc21.COC(=O)c1cc2c(cnn2C(C)C)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.[C-]#[O+].

What is the InChIKey of carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?

The InChIKey is NSOVILCWVJQWHJ-XXZSVDGWSA-N. The full InChI is InChI=1S/C24H24N4O4.C22H21ClN4O2.CO/c1-15(2)28-20-13-19(22(29)32-4)26-21(18(20)14-25-28)17-7-5-6-16(12-17)8-9-24(31)10-11-27(3)23(24)30;1-14(2)27-18-12-19(23)25-20(17(18)13-24-27)16-6-4-5-15(11-16)7-8-22(29)9-10-26(3)21(22)28;1-2/h5-7,12-15,31H,10-11H2,1-4H3;4-6,11-14,29H,9-10H2,1-3H3;/t24-;22-;/m00./s1.

What are the key properties of carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?

carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate has a molecular weight of 869.38 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;(3R)-3-[2-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;methyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 159873303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).