6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24ClFN4O — CID 4119474

IUPAC6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C22H24ClFN4O/c1-13-16(11-17-19(23)9-6-10-20(17)24)14(2)28-21(26-13)18(12-25-28)22(29)27-15-7-4-3-5-8-15/h6,9-10,12,15H,3-5,7-8,11H2,1-2H3,(H,27,29)
InChIKeyQQOWIEXMWZEZRB-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.79
Rot. Bonds4

About 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4119474) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4119474
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C22H24ClFN4O/c1-13-16(11-17-19(23)9-6-10-20(17)24)14(2)28-21(26-13)18(12-25-28)22(29)27-15-7-4-3-5-8-15/h6,9-10,12,15H,3-5,7-8,11H2,1-2H3,(H,27,29)
InChIKeyQQOWIEXMWZEZRB-UHFFFAOYSA-N
XLogP4.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4119474) is 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1c(F)cccc1Cl.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QQOWIEXMWZEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-13-16(11-17-19(23)9-6-10-20(17)24)14(2)28-21(26-13)18(12-25-28)22(29)27-15-7-4-3-5-8-15/h6,9-10,12,15H,3-5,7-8,11H2,1-2H3,(H,27,29).
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.91 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4119474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).