[6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C23H27N7OS — CID 118684947

IUPAC[6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(CO)n3)c(C)s1)CCCC2
InChIInChI=1S/C23H27N7OS/c1-4-30-22(16-7-5-6-8-17(16)28-30)27-23-26-21(15(3)32-23)18-9-10-20(19(12-31)25-18)29-11-14(2)24-13-29/h9-11,13,31H,4-8,12H2,1-3H3,(H,26,27)
InChIKeyBVVCILGQYHLLBS-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.34
Rot. Bonds6

About [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 118684947) has the molecular formula C23H27N7OS and a molecular weight of 449.58 g/mol. Its IUPAC name is [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID118684947
Molecular FormulaC23H27N7OS
Molecular Weight449.58 g/mol
Exact Mass449.20
IUPAC Name[6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(CO)n3)c(C)s1)CCCC2
InChIInChI=1S/C23H27N7OS/c1-4-30-22(16-7-5-6-8-17(16)28-30)27-23-26-21(15(3)32-23)18-9-10-20(19(12-31)25-18)29-11-14(2)24-13-29/h9-11,13,31H,4-8,12H2,1-3H3,(H,26,27)
InChIKeyBVVCILGQYHLLBS-UHFFFAOYSA-N
XLogP4.34
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 118684947) is [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(CO)n3)c(C)s1)CCCC2.
What is the InChIKey of [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is BVVCILGQYHLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7OS/c1-4-30-22(16-7-5-6-8-17(16)28-30)27-23-26-21(15(3)32-23)18-9-10-20(19(12-31)25-18)29-11-14(2)24-13-29/h9-11,13,31H,4-8,12H2,1-3H3,(H,26,27).
What are the key properties of [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 449.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-5-methyl-1,3-thiazol-4-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 118684947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).