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

C26H36ClF2N5O5S — CID 146286240

IUPAC4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F
InChIInChI=1S/C26H36ClF2N5O5S/c1-4-34-23(18-13-30-20(12-19(18)39-25(28)29)32-15(2)11-16-5-6-16)21(27)22(33-34)24(35)31-14-26(36)9-7-17(8-10-26)40(3,37)38/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35)
InChIKeyGCBMREYTIIUNDR-UHFFFAOYSA-N
MW604.12 g/mol
LogP4.27
Rot. Bonds12

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

4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286240) has the molecular formula C26H36ClF2N5O5S and a molecular weight of 604.12 g/mol. Its IUPAC name is 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146286240
Molecular FormulaC26H36ClF2N5O5S
Molecular Weight604.12 g/mol
Exact Mass603.21
IUPAC Name4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F
InChIInChI=1S/C26H36ClF2N5O5S/c1-4-34-23(18-13-30-20(12-19(18)39-25(28)29)32-15(2)11-16-5-6-16)21(27)22(33-34)24(35)31-14-26(36)9-7-17(8-10-26)40(3,37)38/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35)
InChIKeyGCBMREYTIIUNDR-UHFFFAOYSA-N
XLogP4.27
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.12
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286240) is 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F.
What is the InChIKey of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is GCBMREYTIIUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClF2N5O5S/c1-4-34-23(18-13-30-20(12-19(18)39-25(28)29)32-15(2)11-16-5-6-16)21(27)22(33-34)24(35)31-14-26(36)9-7-17(8-10-26)40(3,37)38/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35).
What are the key properties of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 604.12 g/mol, XLogP of 4.27, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).