3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide

C25H28FN5O — CID 60571859

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C25H28FN5O/c1-17-22(18(2)31-24(30-17)19(14-27)15-29-31)10-11-23(32)28-16-25(12-4-3-5-13-25)20-6-8-21(26)9-7-20/h6-9,15H,3-5,10-13,16H2,1-2H3,(H,28,32)
InChIKeyAKYQAPNHJSRAPK-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.31
Rot. Bonds6

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide (PubChem CID 60571859) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
PubChem CID60571859
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C25H28FN5O/c1-17-22(18(2)31-24(30-17)19(14-27)15-29-31)10-11-23(32)28-16-25(12-4-3-5-13-25)20-6-8-21(26)9-7-20/h6-9,15H,3-5,10-13,16H2,1-2H3,(H,28,32)
InChIKeyAKYQAPNHJSRAPK-UHFFFAOYSA-N
XLogP4.31
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 46404551
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60573415
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86930802
N'-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 55624707
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55819065
6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55975365
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60621717
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55622817
N'-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyridine-3-carbohydrazide
CID 55624516
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
CID 60587661
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 55849136
methyl 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-2-phenylacetate
CID 60609725

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide (CID 60571859) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide is Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
The InChIKey is AKYQAPNHJSRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-17-22(18(2)31-24(30-17)19(14-27)15-29-31)10-11-23(32)28-16-25(12-4-3-5-13-25)20-6-8-21(26)9-7-20/h6-9,15H,3-5,10-13,16H2,1-2H3,(H,28,32).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide has a molecular weight of 433.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 60571859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).