N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C29H24N6OS — CID 137114141

About N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137114141) has the molecular formula C29H24N6OS and a molecular weight of 504.62 g/mol. Its IUPAC name is N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137114141
• Molecular Formula: C29H24N6OS
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.17
• IUPAC Name: N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)s1
• InChI: InChI=1S/C29H24N6OS/c1-16-5-8-26(37-16)28-22-13-25(33-23(22)9-10-31-28)27-21-12-18(6-7-24(21)34-35-27)19-11-20(15-30-14-19)32-29(36)17-3-2-4-17/h5-15,17,33H,2-4H2,1H3,(H,32,36)(H,34,35)
• InChIKey: DLFYMDBGSZJHBT-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137114141) is N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)s1.

What is the InChIKey of N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is DLFYMDBGSZJHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6OS/c1-16-5-8-26(37-16)28-22-13-25(33-23(22)9-10-31-28)27-21-12-18(6-7-24(21)34-35-27)19-11-20(15-30-14-19)32-29(36)17-3-2-4-17/h5-15,17,33H,2-4H2,1H3,(H,32,36)(H,34,35).

What are the key properties of N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 504.62 g/mol, XLogP of 6.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137114141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).