N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane

C26H33F2N7O2 — CID 166537072

IUPACN-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane
SMILESCC.CCC.Cn1cc2cc(NC(=O)c3cnn4ccc(N5CC6CC5CO6)nc34)c(C(F)F)cc2n1
InChIInChI=1S/C21H19F2N7O2.C3H8.C2H6/c1-28-8-11-4-17(14(19(22)23)6-16(11)27-28)25-21(31)15-7-24-30-3-2-18(26-20(15)30)29-9-13-5-12(29)10-32-13;1-3-2;1-2/h2-4,6-8,12-13,19H,5,9-10H2,1H3,(H,25,31);3H2,1-2H3;1-2H3
InChIKeyLXYSBYJFQKIJRP-UHFFFAOYSA-N
MW513.59 g/mol
LogP5.23
Rot. Bonds4

About N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane

N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane (PubChem CID 166537072) has the molecular formula C26H33F2N7O2 and a molecular weight of 513.59 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane
PubChem CID166537072
Molecular FormulaC26H33F2N7O2
Molecular Weight513.59 g/mol
Exact Mass513.27
IUPAC NameN-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane
SMILESCC.CCC.Cn1cc2cc(NC(=O)c3cnn4ccc(N5CC6CC5CO6)nc34)c(C(F)F)cc2n1
InChIInChI=1S/C21H19F2N7O2.C3H8.C2H6/c1-28-8-11-4-17(14(19(22)23)6-16(11)27-28)25-21(31)15-7-24-30-3-2-18(26-20(15)30)29-9-13-5-12(29)10-32-13;1-3-2;1-2/h2-4,6-8,12-13,19H,5,9-10H2,1H3,(H,25,31);3H2,1-2H3;1-2H3
InChIKeyLXYSBYJFQKIJRP-UHFFFAOYSA-N
XLogP5.23
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane?
The IUPAC name of N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane (CID 166537072) is N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane.
What is the SMILES notation for N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane?
The canonical SMILES for N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane is CC.CCC.Cn1cc2cc(NC(=O)c3cnn4ccc(N5CC6CC5CO6)nc34)c(C(F)F)cc2n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane?
The InChIKey is LXYSBYJFQKIJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2.C3H8.C2H6/c1-28-8-11-4-17(14(19(22)23)6-16(11)27-28)25-21(31)15-7-24-30-3-2-18(26-20(15)30)29-9-13-5-12(29)10-32-13;1-3-2;1-2/h2-4,6-8,12-13,19H,5,9-10H2,1H3,(H,25,31);3H2,1-2H3;1-2H3.
What are the key properties of N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane?
N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane has a molecular weight of 513.59 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane is sourced from PubChem (CID 166537072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).