1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea

C31H35N7O2 — CID 71165066

About 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 71165066) has the molecular formula C31H35N7O2 and a molecular weight of 537.67 g/mol. Its IUPAC name is 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
• PubChem CID: 71165066
• Molecular Formula: C31H35N7O2
• Molecular Weight: 537.67 g/mol
• Exact Mass: 537.29
• IUPAC Name: 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
• SMILES: O=C(NCc1cccnc1)Nc1ccc(-n2nc(C(=O)N3CCC(N4CCCCC4)CC3)c3ccccc32)cc1
• InChI: InChI=1S/C31H35N7O2/c39-30(37-19-14-25(15-20-37)36-17-4-1-5-18-36)29-27-8-2-3-9-28(27)38(35-29)26-12-10-24(11-13-26)34-31(40)33-22-23-7-6-16-32-21-23/h2-3,6-13,16,21,25H,1,4-5,14-15,17-20,22H2,(H2,33,34,40)
• InChIKey: KCPXKLZOSXLKPT-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 95.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.67
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea?

The IUPAC name of 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea (CID 71165066) is 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(-n2nc(C(=O)N3CCC(N4CCCCC4)CC3)c3ccccc32)cc1.

What is the InChIKey of 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea?

The InChIKey is KCPXKLZOSXLKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2/c39-30(37-19-14-25(15-20-37)36-17-4-1-5-18-36)29-27-8-2-3-9-28(27)38(35-29)26-12-10-24(11-13-26)34-31(40)33-22-23-7-6-16-32-21-23/h2-3,6-13,16,21,25H,1,4-5,14-15,17-20,22H2,(H2,33,34,40).

What are the key properties of 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea?

1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 537.67 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 71165066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).