(6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide

C24H33FN4O4S — CID 164551006

IUPAC(6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCCOc1cc(-c2nn(C(C)C)c3c2CC[C@@H](C(=O)NC2(C)CCS(=O)(=O)CC2)C3)c(F)cn1
InChIInChI=1S/C24H33FN4O4S/c1-5-33-21-13-18(19(25)14-26-21)22-17-7-6-16(12-20(17)29(28-22)15(2)3)23(30)27-24(4)8-10-34(31,32)11-9-24/h13-16H,5-12H2,1-4H3,(H,27,30)/t16-/m1/s1
InChIKeyIBVJHDOBAYAPFS-MRXNPFEDSA-N
MW492.62 g/mol
LogP3.25
Rot. Bonds6

About (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 164551006) has the molecular formula C24H33FN4O4S and a molecular weight of 492.62 g/mol. Its IUPAC name is (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID164551006
Molecular FormulaC24H33FN4O4S
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name(6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCCOc1cc(-c2nn(C(C)C)c3c2CC[C@@H](C(=O)NC2(C)CCS(=O)(=O)CC2)C3)c(F)cn1
InChIInChI=1S/C24H33FN4O4S/c1-5-33-21-13-18(19(25)14-26-21)22-17-7-6-16(12-20(17)29(28-22)15(2)3)23(30)27-24(4)8-10-34(31,32)11-9-24/h13-16H,5-12H2,1-4H3,(H,27,30)/t16-/m1/s1
InChIKeyIBVJHDOBAYAPFS-MRXNPFEDSA-N
XLogP3.25
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 164551006) is (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide is CCOc1cc(-c2nn(C(C)C)c3c2CC[C@@H](C(=O)NC2(C)CCS(=O)(=O)CC2)C3)c(F)cn1.
What is the InChIKey of (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is IBVJHDOBAYAPFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H33FN4O4S/c1-5-33-21-13-18(19(25)14-26-21)22-17-7-6-16(12-20(17)29(28-22)15(2)3)23(30)27-24(4)8-10-34(31,32)11-9-24/h13-16H,5-12H2,1-4H3,(H,27,30)/t16-/m1/s1.
What are the key properties of (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 164551006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).