N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C26H31N7OS — CID 162663211

IUPACN-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C3CCCCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H31N7OS/c1-17-14-32(16-27-17)23-13-12-21(28-25(23)34-2)22-15-35-26(29-22)30-24-19-10-6-7-11-20(19)31-33(24)18-8-4-3-5-9-18/h12-16,18H,3-11H2,1-2H3,(H,29,30)
InChIKeyUIDMHMNKHAKPDY-UHFFFAOYSA-N
MW489.65 g/mol
LogP6.03
Rot. Bonds6

About N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 162663211) has the molecular formula C26H31N7OS and a molecular weight of 489.65 g/mol. Its IUPAC name is N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID162663211
Molecular FormulaC26H31N7OS
Molecular Weight489.65 g/mol
Exact Mass489.23
IUPAC NameN-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C3CCCCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H31N7OS/c1-17-14-32(16-27-17)23-13-12-21(28-25(23)34-2)22-15-35-26(29-22)30-24-19-10-6-7-11-20(19)31-33(24)18-8-4-3-5-9-18/h12-16,18H,3-11H2,1-2H3,(H,29,30)
InChIKeyUIDMHMNKHAKPDY-UHFFFAOYSA-N
XLogP6.03
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.65
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 162663211) is N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3C3CCCCC3)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is UIDMHMNKHAKPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7OS/c1-17-14-32(16-27-17)23-13-12-21(28-25(23)34-2)22-15-35-26(29-22)30-24-19-10-6-7-11-20(19)31-33(24)18-8-4-3-5-9-18/h12-16,18H,3-11H2,1-2H3,(H,29,30).
What are the key properties of N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 489.65 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162663211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).