N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H33F2N7O2 — CID 156823352

IUPACN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(N5CCC(O)CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C25H33F2N7O2/c1-15(2)16-3-5-17(6-4-16)34-14-20(22(31-34)23(26)27)29-25(36)19-13-28-33-12-9-21(30-24(19)33)32-10-7-18(35)8-11-32/h9,12-18,23,35H,3-8,10-11H2,1-2H3,(H,29,36)
InChIKeyHYLJHLRJFXYCKI-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.46
Rot. Bonds6

About N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156823352) has the molecular formula C25H33F2N7O2 and a molecular weight of 501.58 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID156823352
Molecular FormulaC25H33F2N7O2
Molecular Weight501.58 g/mol
Exact Mass501.27
IUPAC NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(N5CCC(O)CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C25H33F2N7O2/c1-15(2)16-3-5-17(6-4-16)34-14-20(22(31-34)23(26)27)29-25(36)19-13-28-33-12-9-21(30-24(19)33)32-10-7-18(35)8-11-32/h9,12-18,23,35H,3-8,10-11H2,1-2H3,(H,29,36)
InChIKeyHYLJHLRJFXYCKI-UHFFFAOYSA-N
XLogP4.46
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156823352) is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(N5CCC(O)CC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HYLJHLRJFXYCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N7O2/c1-15(2)16-3-5-17(6-4-16)34-14-20(22(31-34)23(26)27)29-25(36)19-13-28-33-12-9-21(30-24(19)33)32-10-7-18(35)8-11-32/h9,12-18,23,35H,3-8,10-11H2,1-2H3,(H,29,36).
What are the key properties of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156823352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).