6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C30H31FN6O — CID 118413975

About 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413975) has the molecular formula C30H31FN6O and a molecular weight of 510.62 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 118413975
• Molecular Formula: C30H31FN6O
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.25
• IUPAC Name: 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)CC2)nc1-c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C30H31FN6O/c1-18(2)38-24-10-6-21(7-11-24)27-19(3)34-28(36-27)22-12-14-37(15-13-22)30-25-16-26(35-29(25)32-17-33-30)20-4-8-23(31)9-5-20/h4-11,16-18,22H,12-15H2,1-3H3,(H,34,36)(H,32,33,35)
• InChIKey: OLOZGFFTGAOZHU-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 82.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413975) is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)CC2)nc1-c1ccc(OC(C)C)cc1.

What is the InChIKey of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is OLOZGFFTGAOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O/c1-18(2)38-24-10-6-21(7-11-24)27-19(3)34-28(36-27)22-12-14-37(15-13-22)30-25-16-26(35-29(25)32-17-33-30)20-4-8-23(31)9-5-20/h4-11,16-18,22H,12-15H2,1-3H3,(H,34,36)(H,32,33,35).

What are the key properties of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 510.62 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).