2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

C26H20ClF3N6 — CID 164881122

About 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 164881122) has the molecular formula C26H20ClF3N6 and a molecular weight of 508.94 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
• PubChem CID: 164881122
• Molecular Formula: C26H20ClF3N6
• Molecular Weight: 508.94 g/mol
• Exact Mass: 508.14
• IUPAC Name: 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
• SMILES: Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(Cl)ccnc4C4CC4)nc23)cc1
• InChI: InChI=1S/C26H20ClF3N6/c1-36-13-20(26(28,29)30)34-25(36)16-4-2-14(3-5-16)10-17-11-32-19-12-33-24(35-22(17)19)21-18(27)8-9-31-23(21)15-6-7-15/h2-5,8-9,11-13,15,32H,6-7,10H2,1H3
• InChIKey: AWQWDUUAVLNXPU-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.94
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

The IUPAC name of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 164881122) is 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

The canonical SMILES for 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(Cl)ccnc4C4CC4)nc23)cc1.

What is the InChIKey of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

The InChIKey is AWQWDUUAVLNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N6/c1-36-13-20(26(28,29)30)34-25(36)16-4-2-14(3-5-16)10-17-11-32-19-12-33-24(35-22(17)19)21-18(27)8-9-31-23(21)15-6-7-15/h2-5,8-9,11-13,15,32H,6-7,10H2,1H3.

What are the key properties of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 508.94 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164881122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).