methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate

C18H24N6O3 — CID 123450387

IUPACmethyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2nn(C3CCCCC3(C)N)cc2C(N)=O)cn1
InChIInChI=1S/C18H24N6O3/c1-18(20)8-4-3-5-14(18)24-10-12(15(19)25)16(23-24)22-11-6-7-13(21-9-11)17(26)27-2/h6-7,9-10,14H,3-5,8,20H2,1-2H3,(H2,19,25)(H,22,23)
InChIKeyCECYSWDWMBNKRU-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.74
Rot. Bonds5

About methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate

methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate (PubChem CID 123450387) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate
PubChem CID123450387
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Namemethyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2nn(C3CCCCC3(C)N)cc2C(N)=O)cn1
InChIInChI=1S/C18H24N6O3/c1-18(20)8-4-3-5-14(18)24-10-12(15(19)25)16(23-24)22-11-6-7-13(21-9-11)17(26)27-2/h6-7,9-10,14H,3-5,8,20H2,1-2H3,(H2,19,25)(H,22,23)
InChIKeyCECYSWDWMBNKRU-UHFFFAOYSA-N
XLogP1.74
TPSA138.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

[[2-[3-[(6-amino-5-methyl-3-pyridinyl)amino]-4-carbamoylpyrazol-1-yl]cyclohexyl]amino]methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]-3-methylpyridine-2-carboxylate
CID 123576178
ethane;formonitrile;methyl 2-bromo-4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]benzoate
CID 164542878
1-[(1S,2S)-2-methylcyclohexyl]-3-[[6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 130284629
methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate
CID 144556423
1-[(1R,2R)-2-cyanocyclohexyl]-3-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 134142644
methyl 5-[[4-carbamoyl-1-[(2S)-2-cyanocyclopentyl]pyrazol-3-yl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 164800619
1-[(4R)-4-cyano-4-methyl-1,1-dioxothiolan-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide;1-[(4S)-4-cyano-4-methyl-1,1-dioxothiolan-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 162092488
1-[(1S,2S,4S)-2-amino-4-hydroxy-4-methylcyclohexyl]-3-(4-chloroanilino)pyrazole-4-carboxamide
CID 130284824
3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
CID 130284430
3-(4-acetylanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471116
1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89463355
1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
CID 123527862

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate (CID 123450387) is methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(Nc2nn(C3CCCCC3(C)N)cc2C(N)=O)cn1.
What is the InChIKey of methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate?
The InChIKey is CECYSWDWMBNKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-18(20)8-4-3-5-14(18)24-10-12(15(19)25)16(23-24)22-11-6-7-13(21-9-11)17(26)27-2/h6-7,9-10,14H,3-5,8,20H2,1-2H3,(H2,19,25)(H,22,23).
What are the key properties of methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate?
methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2-amino-2-methylcyclohexyl)-4-carbamoylpyrazol-3-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 123450387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).