2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide

C26H35N5O2S — CID 138670893

IUPAC2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide
SMILESCCCOc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4nn(C)cc34)CC1)C2
InChIInChI=1S/C26H35N5O2S/c1-3-15-33-26-28-23-17-31(14-12-24(23)34-26)13-11-18-7-9-19(10-8-18)27-25(32)20-5-4-6-22-21(20)16-30(2)29-22/h4-6,16,18-19H,3,7-15,17H2,1-2H3,(H,27,32)
InChIKeyMZYJTTCCTJDSIK-UHFFFAOYSA-N
MW481.67 g/mol
LogP4.56
Rot. Bonds8

About 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide

2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide (PubChem CID 138670893) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide
PubChem CID138670893
Molecular FormulaC26H35N5O2S
Molecular Weight481.67 g/mol
Exact Mass481.25
IUPAC Name2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide
SMILESCCCOc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4nn(C)cc34)CC1)C2
InChIInChI=1S/C26H35N5O2S/c1-3-15-33-26-28-23-17-31(14-12-24(23)34-26)13-11-18-7-9-19(10-8-18)27-25(32)20-5-4-6-22-21(20)16-30(2)29-22/h4-6,16,18-19H,3,7-15,17H2,1-2H3,(H,27,32)
InChIKeyMZYJTTCCTJDSIK-UHFFFAOYSA-N
XLogP4.56
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide (CID 138670893) is 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide is CCCOc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4nn(C)cc34)CC1)C2.
What is the InChIKey of 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide?
The InChIKey is MZYJTTCCTJDSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-3-15-33-26-28-23-17-31(14-12-24(23)34-26)13-11-18-7-9-19(10-8-18)27-25(32)20-5-4-6-22-21(20)16-30(2)29-22/h4-6,16,18-19H,3,7-15,17H2,1-2H3,(H,27,32).
What are the key properties of 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide?
2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide has a molecular weight of 481.67 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(2-propoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]indazole-4-carboxamide is sourced from PubChem (CID 138670893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).