N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide

C25H32FN7O2 — CID 162362263

IUPACN-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(C(=O)Nc1cnc(-c2c(C)cnn2C)c(F)c1)C1CCC(C)CC1
InChIInChI=1S/C25H32FN7O2/c1-5-33-20(10-11-28-33)24(34)31-21(17-8-6-15(2)7-9-17)25(35)30-18-12-19(26)22(27-14-18)23-16(3)13-29-32(23)4/h10-15,17,21H,5-9H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyGNMPHQZARWTVEZ-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.71
Rot. Bonds7

About N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide

N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 162362263) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID162362263
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC NameN-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(C(=O)Nc1cnc(-c2c(C)cnn2C)c(F)c1)C1CCC(C)CC1
InChIInChI=1S/C25H32FN7O2/c1-5-33-20(10-11-28-33)24(34)31-21(17-8-6-15(2)7-9-17)25(35)30-18-12-19(26)22(27-14-18)23-16(3)13-29-32(23)4/h10-15,17,21H,5-9H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyGNMPHQZARWTVEZ-UHFFFAOYSA-N
XLogP3.71
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362475
N-[(1S)-2-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362491
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362258
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-[(3-methylcyclobut-2-en-1-yl)methyl]pyrazole-3-carboxamide
CID 176668396
tert-butyl N-[(1S)-2-[[2-(1,4-dimethylpyrazol-5-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 175853056
N-[(1S)-2-[4-[(2S,3R)-3-amino-4-(4-hydroxy-4-methylpiperidin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 155025075
N-[(1S)-1-cyclopentyl-2-[4-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 170425392
N-[(1S)-1-cyclopentyl-2-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 164514278
N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 175433048
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 166470668

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (CID 162362263) is N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(C(=O)Nc1cnc(-c2c(C)cnn2C)c(F)c1)C1CCC(C)CC1.
What is the InChIKey of N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is GNMPHQZARWTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-5-33-20(10-11-28-33)24(34)31-21(17-8-6-15(2)7-9-17)25(35)30-18-12-19(26)22(27-14-18)23-16(3)13-29-32(23)4/h10-15,17,21H,5-9H2,1-4H3,(H,30,35)(H,31,34).
What are the key properties of N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 162362263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).