4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C23H26ClF8N5O4S — CID 146286231

IUPAC4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C23H26ClF8N5O4S/c1-3-37-18(16(24)17(36-37)19(38)34-9-11-4-6-12(7-5-11)42(2,39)40)13-10-33-15(8-14(13)41-21(25)26)35-20(22(27,28)29)23(30,31)32/h8,10-12,20-21H,3-7,9H2,1-2H3,(H,33,35)(H,34,38)
InChIKeyVKCPRIPXMTZRHU-UHFFFAOYSA-N
MW656.00 g/mol
LogP5.46
Rot. Bonds10

About 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286231) has the molecular formula C23H26ClF8N5O4S and a molecular weight of 656.00 g/mol. Its IUPAC name is 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146286231
Molecular FormulaC23H26ClF8N5O4S
Molecular Weight656.00 g/mol
Exact Mass655.13
IUPAC Name4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C23H26ClF8N5O4S/c1-3-37-18(16(24)17(36-37)19(38)34-9-11-4-6-12(7-5-11)42(2,39)40)13-10-33-15(8-14(13)41-21(25)26)35-20(22(27,28)29)23(30,31)32/h8,10-12,20-21H,3-7,9H2,1-2H3,(H,33,35)(H,34,38)
InChIKeyVKCPRIPXMTZRHU-UHFFFAOYSA-N
XLogP5.46
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.00
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

US10975057, Example 33
CID 146286247
US10975057, Example 82
CID 146286264
US10975057, Example 49
CID 146286291
US10975057, Example 5
CID 146286319
US10975057, Example 32
CID 146286326
US10975057, Example 1
CID 146286150
US10975057, Example 6
CID 146286156
US10975057, Example 2
CID 146286157
US10975057, Example 7
CID 146286158
US10975057, Example 46
CID 146286194
US10975057, Example 43
CID 146286197
US10975057, Example 35
CID 146286232

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286231) is 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C(F)(F)F)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is VKCPRIPXMTZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF8N5O4S/c1-3-37-18(16(24)17(36-37)19(38)34-9-11-4-6-12(7-5-11)42(2,39)40)13-10-33-15(8-14(13)41-21(25)26)35-20(22(27,28)29)23(30,31)32/h8,10-12,20-21H,3-7,9H2,1-2H3,(H,33,35)(H,34,38).
What are the key properties of 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 656.00 g/mol, XLogP of 5.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).