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

C23H30F2N4O4S — CID 164550995

IUPAC(6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(C)n1nc(-c2cncc(OC(F)F)c2)c2c1C[C@H](C(=O)NC1(C)CCS(=O)(=O)CC1)CC2
InChIInChI=1S/C23H30F2N4O4S/c1-14(2)29-19-11-15(21(30)27-23(3)6-8-34(31,32)9-7-23)4-5-18(19)20(28-29)16-10-17(13-26-12-16)33-22(24)25/h10,12-15,22H,4-9,11H2,1-3H3,(H,27,30)/t15-/m1/s1
InChIKeyXQGKFJJOELFHHE-OAHLLOKOSA-N
MW496.58 g/mol
LogP3.32
Rot. Bonds6

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

(6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 164550995) has the molecular formula C23H30F2N4O4S and a molecular weight of 496.58 g/mol. Its IUPAC name is (6R)-3-[5-(difluoromethoxy)-3-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-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID164550995
Molecular FormulaC23H30F2N4O4S
Molecular Weight496.58 g/mol
Exact Mass496.20
IUPAC Name(6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(C)n1nc(-c2cncc(OC(F)F)c2)c2c1C[C@H](C(=O)NC1(C)CCS(=O)(=O)CC1)CC2
InChIInChI=1S/C23H30F2N4O4S/c1-14(2)29-19-11-15(21(30)27-23(3)6-8-34(31,32)9-7-23)4-5-18(19)20(28-29)16-10-17(13-26-12-16)33-22(24)25/h10,12-15,22H,4-9,11H2,1-3H3,(H,27,30)/t15-/m1/s1
InChIKeyXQGKFJJOELFHHE-OAHLLOKOSA-N
XLogP3.32
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-3-[5-(difluoromethoxy)-3-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-[5-(difluoromethoxy)-3-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-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 164550995) is (6R)-3-[5-(difluoromethoxy)-3-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-[5-(difluoromethoxy)-3-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-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide is CC(C)n1nc(-c2cncc(OC(F)F)c2)c2c1C[C@H](C(=O)NC1(C)CCS(=O)(=O)CC1)CC2.
What is the InChIKey of (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is XQGKFJJOELFHHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30F2N4O4S/c1-14(2)29-19-11-15(21(30)27-23(3)6-8-34(31,32)9-7-23)4-5-18(19)20(28-29)16-10-17(13-26-12-16)33-22(24)25/h10,12-15,22H,4-9,11H2,1-3H3,(H,27,30)/t15-/m1/s1.
What are the key properties of (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-3-[5-(difluoromethoxy)-3-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 496.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[5-(difluoromethoxy)-3-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 164550995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).