N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

C30H32N6O — CID 156778038

About N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 156778038) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
• PubChem CID: 156778038
• Molecular Formula: C30H32N6O
• Molecular Weight: 492.63 g/mol
• Exact Mass: 492.26
• IUPAC Name: N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
• SMILES: CN1CCC(Cn2cc3cc(-c4cnc5[nH]cc(-c6ccc(C(=O)N(C)C)cc6)c5c4)ccc3n2)CC1
• InChI: InChI=1S/C30H32N6O/c1-34(2)30(37)22-6-4-21(5-7-22)27-17-32-29-26(27)15-24(16-31-29)23-8-9-28-25(14-23)19-36(33-28)18-20-10-12-35(3)13-11-20/h4-9,14-17,19-20H,10-13,18H2,1-3H3,(H,31,32)
• InChIKey: RFSQAEBGLHJVKB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.63
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

The IUPAC name of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 156778038) is N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

The canonical SMILES for N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is CN1CCC(Cn2cc3cc(-c4cnc5[nH]cc(-c6ccc(C(=O)N(C)C)cc6)c5c4)ccc3n2)CC1.

What is the InChIKey of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

The InChIKey is RFSQAEBGLHJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-34(2)30(37)22-6-4-21(5-7-22)27-17-32-29-26(27)15-24(16-31-29)23-8-9-28-25(14-23)19-36(33-28)18-20-10-12-35(3)13-11-20/h4-9,14-17,19-20H,10-13,18H2,1-3H3,(H,31,32).

What are the key properties of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 492.63 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 156778038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).