1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide

C38H33ClN12O6 — CID 157117599

About 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide

1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide (PubChem CID 157117599) has the molecular formula C38H33ClN12O6 and a molecular weight of 789.21 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide
• PubChem CID: 157117599
• Molecular Formula: C38H33ClN12O6
• Molecular Weight: 789.21 g/mol
• Exact Mass: 788.23
• IUPAC Name: 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide
• SMILES: C#C[C@]1(O)CCN(C)C1=O.CN1CC[C@@](O)(C#Cc2cc(-n3nc(C(N)=O)c4ccccc43)ncn2)C1=O.NC(=O)c1nn(-c2cc(Cl)ncn2)c2ccccc12
• InChI: InChI=1S/C19H16N6O3.C12H8ClN5O.C7H9NO2/c1-24-9-8-19(28,18(24)27)7-6-12-10-15(22-11-21-12)25-14-5-3-2-4-13(14)16(23-25)17(20)26;13-9-5-10(16-6-15-9)18-8-4-2-1-3-7(8)11(17-18)12(14)19;1-3-7(10)4-5-8(2)6(7)9/h2-5,10-11,28H,8-9H2,1H3,(H2,20,26);1-6H,(H2,14,19);1,10H,4-5H2,2H3/t19-;;7-/m0.0/s1
• InChIKey: AHOWSOVMJAGUQP-KDKBDXHESA-N
• XLogP: 0.64
• TPSA: 254.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.21
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide?

The IUPAC name of 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide (CID 157117599) is 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide.

What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide?

The canonical SMILES for 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide is C#C[C@]1(O)CCN(C)C1=O.CN1CC[C@@](O)(C#Cc2cc(-n3nc(C(N)=O)c4ccccc43)ncn2)C1=O.NC(=O)c1nn(-c2cc(Cl)ncn2)c2ccccc12.

What is the InChIKey of 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide?

The InChIKey is AHOWSOVMJAGUQP-KDKBDXHESA-N. The full InChI is InChI=1S/C19H16N6O3.C12H8ClN5O.C7H9NO2/c1-24-9-8-19(28,18(24)27)7-6-12-10-15(22-11-21-12)25-14-5-3-2-4-13(14)16(23-25)17(20)26;13-9-5-10(16-6-15-9)18-8-4-2-1-3-7(8)11(17-18)12(14)19;1-3-7(10)4-5-8(2)6(7)9/h2-5,10-11,28H,8-9H2,1H3,(H2,20,26);1-6H,(H2,14,19);1,10H,4-5H2,2H3/t19-;;7-/m0.0/s1.

What are the key properties of 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide?

1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide has a molecular weight of 789.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide is sourced from PubChem (CID 157117599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).