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

C25H32FN7O2 — CID 166872017

IUPACN-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](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)/t15?,17?,21-/m0/s1
InChIKeyGNMPHQZARWTVEZ-GRXDXKALSA-N
MW481.58 g/mol
LogP3.71
Rot. Bonds7

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

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 166872017) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(1S)-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-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID166872017
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC NameN-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](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)/t15?,17?,21-/m0/s1
InChIKeyGNMPHQZARWTVEZ-GRXDXKALSA-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

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

Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-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-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (CID 166872017) is N-[(1S)-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-[(1S)-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-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)cnn2C)c(F)c1)C1CCC(C)CC1.
What is the InChIKey of N-[(1S)-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-GRXDXKALSA-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)/t15?,17?,21-/m0/s1.
What are the key properties of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
N-[(1S)-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-[(1S)-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 166872017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).