2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C22H24ClN7O2 — CID 143732418

About 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 143732418) has the molecular formula C22H24ClN7O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
• PubChem CID: 143732418
• Molecular Formula: C22H24ClN7O2
• Molecular Weight: 453.93 g/mol
• Exact Mass: 453.17
• IUPAC Name: 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
• SMILES: Cc1cc(Cl)c(-c2nc(N)nc3c2CN(C(=O)NC2CC2)C3)c(OCCn2cccn2)c1
• InChI: InChI=1S/C22H24ClN7O2/c1-13-9-16(23)19(18(10-13)32-8-7-30-6-2-5-25-30)20-15-11-29(22(31)26-14-3-4-14)12-17(15)27-21(24)28-20/h2,5-6,9-10,14H,3-4,7-8,11-12H2,1H3,(H,26,31)(H2,24,27,28)
• InChIKey: AWVXSHCDPBQLOO-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.93
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 143732418) is 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1cc(Cl)c(-c2nc(N)nc3c2CN(C(=O)NC2CC2)C3)c(OCCn2cccn2)c1.

What is the InChIKey of 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

The InChIKey is AWVXSHCDPBQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2/c1-13-9-16(23)19(18(10-13)32-8-7-30-6-2-5-25-30)20-15-11-29(22(31)26-14-3-4-14)12-17(15)27-21(24)28-20/h2,5-6,9-10,14H,3-4,7-8,11-12H2,1H3,(H,26,31)(H2,24,27,28).

What are the key properties of 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143732418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).