tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

C19H25ClN6O4 — CID 175734190

About tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 175734190) has the molecular formula C19H25ClN6O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
• PubChem CID: 175734190
• Molecular Formula: C19H25ClN6O4
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.16
• IUPAC Name: tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
• SMILES: CNC(=O)c1cc(-n2c(Cl)nc3c(c2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)nn1C
• InChI: InChI=1S/C19H25ClN6O4/c1-10-7-11-12(9-25(10)18(29)30-19(2,3)4)22-17(20)26(16(11)28)14-8-13(15(27)21-5)24(6)23-14/h8,10H,7,9H2,1-6H3,(H,21,27)/t10-/m1/s1
• InChIKey: AFCKTTPWGHEECH-SNVBAGLBSA-N
• XLogP: 1.66
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

The IUPAC name of tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (CID 175734190) is tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

What is the SMILES notation for tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

The canonical SMILES for tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is CNC(=O)c1cc(-n2c(Cl)nc3c(c2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)nn1C.

What is the InChIKey of tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

The InChIKey is AFCKTTPWGHEECH-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H25ClN6O4/c1-10-7-11-12(9-25(10)18(29)30-19(2,3)4)22-17(20)26(16(11)28)14-8-13(15(27)21-5)24(6)23-14/h8,10H,7,9H2,1-6H3,(H,21,27)/t10-/m1/s1.

What are the key properties of tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 436.90 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6R)-2-chloro-6-methyl-3-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 175734190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).