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

C30H33N7O2 — CID 118413810

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

6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413810) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-(2-methoxy-4-pyridinyl)-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-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 118413810
• Molecular Formula: C30H33N7O2
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.27
• IUPAC Name: 6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(OC(C)C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1
• InChI: InChI=1S/C30H33N7O2/c1-18(2)39-23-7-5-20(6-8-23)27-19(3)34-28(36-27)21-10-13-37(14-11-21)30-24-16-25(35-29(24)32-17-33-30)22-9-12-31-26(15-22)38-4/h5-9,12,15-18,21H,10-11,13-14H2,1-4H3,(H,34,36)(H,32,33,35)
• InChIKey: CKSGKMZOMOWHKR-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 104.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-pyridinyl)-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-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413810) is 6-(2-methoxy-4-pyridinyl)-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-(2-methoxy-4-pyridinyl)-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-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(OC(C)C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.

What is the InChIKey of 6-(2-methoxy-4-pyridinyl)-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 CKSGKMZOMOWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-18(2)39-23-7-5-20(6-8-23)27-19(3)34-28(36-27)21-10-13-37(14-11-21)30-24-16-25(35-29(24)32-17-33-30)22-9-12-31-26(15-22)38-4/h5-9,12,15-18,21H,10-11,13-14H2,1-4H3,(H,34,36)(H,32,33,35).

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

6-(2-methoxy-4-pyridinyl)-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 523.64 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxy-4-pyridinyl)-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 118413810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).