2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide

C27H29N5O2S — CID 171849294

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide (PubChem CID 171849294) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide
• PubChem CID: 171849294
• Molecular Formula: C27H29N5O2S
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.20
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide
• SMILES: CN1CCC(c2ccc(-c3cc4ccn(C(C(N)=O)c5ncn6c5CCC6)c(=O)c4s3)cc2)CC1
• InChI: InChI=1S/C27H29N5O2S/c1-30-12-8-18(9-13-30)17-4-6-19(7-5-17)22-15-20-10-14-32(27(34)25(20)35-22)24(26(28)33)23-21-3-2-11-31(21)16-29-23/h4-7,10,14-16,18,24H,2-3,8-9,11-13H2,1H3,(H2,28,33)
• InChIKey: ZVGBTXAYLZHNJB-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 86.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide (CID 171849294) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide is CN1CCC(c2ccc(-c3cc4ccn(C(C(N)=O)c5ncn6c5CCC6)c(=O)c4s3)cc2)CC1.

What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide?

The InChIKey is ZVGBTXAYLZHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-30-12-8-18(9-13-30)17-4-6-19(7-5-17)22-15-20-10-14-32(27(34)25(20)35-22)24(26(28)33)23-21-3-2-11-31(21)16-29-23/h4-7,10,14-16,18,24H,2-3,8-9,11-13H2,1H3,(H2,28,33).

What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide?

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 487.63 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 171849294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).