4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C23H29ClF5N5O4S — CID 146286378

IUPAC4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C23H29ClF5N5O4S/c1-4-34-20(15-11-30-17(9-16(15)38-22(25)26)32-12(2)23(27,28)29)18(24)19(33-34)21(35)31-10-13-5-7-14(8-6-13)39(3,36)37/h9,11-14,22H,4-8,10H2,1-3H3,(H,30,32)(H,31,35)/t12-,13?,14?/m1/s1
InChIKeyFFCQHQAYFOJHGS-IYXRBSQSSA-N
MW602.03 g/mol
LogP4.92
Rot. Bonds10

About 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286378) has the molecular formula C23H29ClF5N5O4S and a molecular weight of 602.03 g/mol. Its IUPAC name is 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146286378
Molecular FormulaC23H29ClF5N5O4S
Molecular Weight602.03 g/mol
Exact Mass601.15
IUPAC Name4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C23H29ClF5N5O4S/c1-4-34-20(15-11-30-17(9-16(15)38-22(25)26)32-12(2)23(27,28)29)18(24)19(33-34)21(35)31-10-13-5-7-14(8-6-13)39(3,36)37/h9,11-14,22H,4-8,10H2,1-3H3,(H,30,32)(H,31,35)/t12-,13?,14?/m1/s1
InChIKeyFFCQHQAYFOJHGS-IYXRBSQSSA-N
XLogP4.92
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.03
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286378) is 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-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(N[C@H](C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is FFCQHQAYFOJHGS-IYXRBSQSSA-N. The full InChI is InChI=1S/C23H29ClF5N5O4S/c1-4-34-20(15-11-30-17(9-16(15)38-22(25)26)32-12(2)23(27,28)29)18(24)19(33-34)21(35)31-10-13-5-7-14(8-6-13)39(3,36)37/h9,11-14,22H,4-8,10H2,1-3H3,(H,30,32)(H,31,35)/t12-,13?,14?/m1/s1.
What are the key properties of 4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 602.03 g/mol, XLogP of 4.92, 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-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).