4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C21H30ClN5O4S — CID 146286272

IUPAC4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC)cc1OC
InChIInChI=1S/C21H30ClN5O4S/c1-5-27-20(15-12-24-17(23-2)10-16(15)31-3)18(22)19(26-27)21(28)25-11-13-6-8-14(9-7-13)32(4,29)30/h10,12-14H,5-9,11H2,1-4H3,(H,23,24)(H,25,28)
InChIKeyXKMSSEPACBDNGR-UHFFFAOYSA-N
MW484.02 g/mol
LogP3.00
Rot. Bonds8

About 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286272) has the molecular formula C21H30ClN5O4S and a molecular weight of 484.02 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146286272
Molecular FormulaC21H30ClN5O4S
Molecular Weight484.02 g/mol
Exact Mass483.17
IUPAC Name4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC)cc1OC
InChIInChI=1S/C21H30ClN5O4S/c1-5-27-20(15-12-24-17(23-2)10-16(15)31-3)18(22)19(26-27)21(28)25-11-13-6-8-14(9-7-13)32(4,29)30/h10,12-14H,5-9,11H2,1-4H3,(H,23,24)(H,25,28)
InChIKeyXKMSSEPACBDNGR-UHFFFAOYSA-N
XLogP3.00
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-1-ethyl-5-[4-methoxy-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286323
4-chloro-1-ethyl-5-[4-methoxy-6-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286301
4-chloro-1-ethyl-5-[4-methoxy-6-[(4-methylcyclohexyl)amino]-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 159529310
4-chloro-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]-5-[4-methyl-6-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]-3-pyridinyl]pyrazole-3-carboxamide
CID 146286239
4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286251
5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286287
4-chloro-1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146287583
4-chloro-5-[6-[(2,2-difluorocyclopentyl)amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 158637964
4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 162168361
4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 161333910
5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153295935
4-chloro-5-[2-methoxy-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-1-propylpyrazole-3-carboxamide
CID 146287617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286272) is 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC)cc1OC.
What is the InChIKey of 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is XKMSSEPACBDNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O4S/c1-5-27-20(15-12-24-17(23-2)10-16(15)31-3)18(22)19(26-27)21(28)25-11-13-6-8-14(9-7-13)32(4,29)30/h10,12-14H,5-9,11H2,1-4H3,(H,23,24)(H,25,28).
What are the key properties of 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 484.02 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).