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

C25H33F2N7O — CID 156523753

IUPACN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCNCC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C25H33F2N7O/c1-15(2)16-3-5-18(6-4-16)34-14-21(22(32-34)23(26)27)31-25(35)19-13-29-33-12-9-20(30-24(19)33)17-7-10-28-11-8-17/h9,12-18,23,28H,3-8,10-11H2,1-2H3,(H,31,35)
InChIKeyJPCMDGUMLNEAGI-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.97
Rot. Bonds6

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

N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156523753) has the molecular formula C25H33F2N7O and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID156523753
Molecular FormulaC25H33F2N7O
Molecular Weight485.58 g/mol
Exact Mass485.27
IUPAC NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCNCC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C25H33F2N7O/c1-15(2)16-3-5-18(6-4-16)34-14-21(22(32-34)23(26)27)31-25(35)19-13-29-33-12-9-20(30-24(19)33)17-7-10-28-11-8-17/h9,12-18,23,28H,3-8,10-11H2,1-2H3,(H,31,35)
InChIKeyJPCMDGUMLNEAGI-UHFFFAOYSA-N
XLogP4.97
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156523753) is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCNCC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JPCMDGUMLNEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N7O/c1-15(2)16-3-5-18(6-4-16)34-14-21(22(32-34)23(26)27)31-25(35)19-13-29-33-12-9-20(30-24(19)33)17-7-10-28-11-8-17/h9,12-18,23,28H,3-8,10-11H2,1-2H3,(H,31,35).
What are the key properties of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156523753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).