2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C34H37FN10O2S — CID 156798746

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 156798746) has the molecular formula C34H37FN10O2S and a molecular weight of 668.80 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 156798746
• Molecular Formula: C34H37FN10O2S
• Molecular Weight: 668.80 g/mol
• Exact Mass: 668.28
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(F)cc(-c3ccc(N4CCN(C(=O)CN5CCCCC5)CC4)nc3)cc2n1
• InChI: InChI=1S/C34H37FN10O2S/c35-26-17-24(23-6-7-29(37-19-23)42-12-14-43(15-13-42)30(46)21-41-9-2-1-3-10-41)18-27-25(26)20-45(40-27)32(33(47)39-34-36-8-16-48-34)31-28-5-4-11-44(28)22-38-31/h6-8,16-20,22,32H,1-5,9-15,21H2,(H,36,39,47)
• InChIKey: COFGHXQROMTEHS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 117.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.80
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 156798746) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(F)cc(-c3ccc(N4CCN(C(=O)CN5CCCCC5)CC4)nc3)cc2n1.

What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is COFGHXQROMTEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN10O2S/c35-26-17-24(23-6-7-29(37-19-23)42-12-14-43(15-13-42)30(46)21-41-9-2-1-3-10-41)18-27-25(26)20-45(40-27)32(33(47)39-34-36-8-16-48-34)31-28-5-4-11-44(28)22-38-31/h6-8,16-20,22,32H,1-5,9-15,21H2,(H,36,39,47).

What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 668.80 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 11 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-[4-fluoro-6-[6-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156798746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).