7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H34F3N5O2 — CID 166876292

IUPAC7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCOC1CCC(C(NC(=O)c2cnn3c(C)cc(C4CCNCC4)nc23)C(F)(F)F)CC1
InChIInChI=1S/C24H34F3N5O2/c1-3-12-34-18-6-4-17(5-7-18)21(24(25,26)27)31-23(33)19-14-29-32-15(2)13-20(30-22(19)32)16-8-10-28-11-9-16/h13-14,16-18,21,28H,3-12H2,1-2H3,(H,31,33)
InChIKeyBVKCVGMKHRCHFM-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.15
Rot. Bonds7

About 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166876292) has the molecular formula C24H34F3N5O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166876292
Molecular FormulaC24H34F3N5O2
Molecular Weight481.56 g/mol
Exact Mass481.27
IUPAC Name7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCOC1CCC(C(NC(=O)c2cnn3c(C)cc(C4CCNCC4)nc23)C(F)(F)F)CC1
InChIInChI=1S/C24H34F3N5O2/c1-3-12-34-18-6-4-17(5-7-18)21(24(25,26)27)31-23(33)19-14-29-32-15(2)13-20(30-22(19)32)16-8-10-28-11-9-16/h13-14,16-18,21,28H,3-12H2,1-2H3,(H,31,33)
InChIKeyBVKCVGMKHRCHFM-UHFFFAOYSA-N
XLogP4.15
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166876292) is 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCOC1CCC(C(NC(=O)c2cnn3c(C)cc(C4CCNCC4)nc23)C(F)(F)F)CC1.
What is the InChIKey of 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BVKCVGMKHRCHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5O2/c1-3-12-34-18-6-4-17(5-7-18)21(24(25,26)27)31-23(33)19-14-29-32-15(2)13-20(30-22(19)32)16-8-10-28-11-9-16/h13-14,16-18,21,28H,3-12H2,1-2H3,(H,31,33).
What are the key properties of 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166876292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).