4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol

C30H33N7O — CID 137300278

About 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol

4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol (PubChem CID 137300278) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol.

Molecular Properties

• Compound Name: 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol
• PubChem CID: 137300278
• Molecular Formula: C30H33N7O
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.27
• IUPAC Name: 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6CCCC(O)CC6)cncc5[nH]4)c3c2)c1)C(C)C
• InChI: InChI=1S/C30H33N7O/c1-17(2)18(3)33-22-11-21(13-31-14-22)20-8-10-26-24(12-20)29(37-36-26)30-34-27-16-32-15-25(28(27)35-30)19-5-4-6-23(38)9-7-19/h8,10-17,19,23,33,38H,3-7,9H2,1-2H3,(H,34,35)(H,36,37)
• InChIKey: MIMXGSQXQOTQSO-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 115.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol?

The IUPAC name of 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol (CID 137300278) is 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol.

What is the SMILES notation for 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol?

The canonical SMILES for 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6CCCC(O)CC6)cncc5[nH]4)c3c2)c1)C(C)C.

What is the InChIKey of 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol?

The InChIKey is MIMXGSQXQOTQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-17(2)18(3)33-22-11-21(13-31-14-22)20-8-10-26-24(12-20)29(37-36-26)30-34-27-16-32-15-25(28(27)35-30)19-5-4-6-23(38)9-7-19/h8,10-17,19,23,33,38H,3-7,9H2,1-2H3,(H,34,35)(H,36,37).

What are the key properties of 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol?

4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol has a molecular weight of 507.64 g/mol, XLogP of 6.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cycloheptan-1-ol is sourced from PubChem (CID 137300278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).