4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol

C30H33N7O — CID 136643211

About 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol

4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol (PubChem CID 136643211) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
• PubChem CID: 136643211
• Molecular Formula: C30H33N7O
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.27
• IUPAC Name: 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
• SMILES: OC1CCC(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)CC1
• InChI: InChI=1S/C30H33N7O/c38-23-7-4-20(5-8-23)25-16-32-17-27-28(25)34-30(33-27)29-24-13-21(6-9-26(24)35-36-29)22-12-19(14-31-15-22)18-37-10-2-1-3-11-37/h6,9,12-17,20,23,38H,1-5,7-8,10-11,18H2,(H,33,34)(H,35,36)
• InChIKey: NXTLZDKODWJEPX-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 106.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

The IUPAC name of 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol (CID 136643211) is 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol.

What is the SMILES notation for 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

The canonical SMILES for 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol is OC1CCC(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)CC1.

What is the InChIKey of 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

The InChIKey is NXTLZDKODWJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c38-23-7-4-20(5-8-23)25-16-32-17-27-28(25)34-30(33-27)29-24-13-21(6-9-26(24)35-36-29)22-12-19(14-31-15-22)18-37-10-2-1-3-11-37/h6,9,12-17,20,23,38H,1-5,7-8,10-11,18H2,(H,33,34)(H,35,36).

What are the key properties of 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol has a molecular weight of 507.64 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 136643211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).