ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C42H34F6N10O2 — CID 144734819

IUPACethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.Cc1cccc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)n1.Cc1ccnc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)c1
InChIInChI=1S/2C20H14F3N5O.C2H6/c1-12-5-4-8-17(25-12)27-19(29)14-11-24-28-10-9-16(26-18(14)28)13-6-2-3-7-15(13)20(21,22)23;1-12-6-8-24-17(10-12)27-19(29)14-11-25-28-9-7-16(26-18(14)28)13-4-2-3-5-15(13)20(21,22)23;1-2/h2-11H,1H3,(H,25,27,29);2-11H,1H3,(H,24,27,29);1-2H3
InChIKeyGOUGALCANDUPSD-UHFFFAOYSA-N
MW824.79 g/mol
LogP9.77
Rot. Bonds6

About ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734819) has the molecular formula C42H34F6N10O2 and a molecular weight of 824.79 g/mol. Its IUPAC name is ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144734819
Molecular FormulaC42H34F6N10O2
Molecular Weight824.79 g/mol
Exact Mass824.28
IUPAC Nameethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.Cc1cccc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)n1.Cc1ccnc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)c1
InChIInChI=1S/2C20H14F3N5O.C2H6/c1-12-5-4-8-17(25-12)27-19(29)14-11-24-28-10-9-16(26-18(14)28)13-6-2-3-7-15(13)20(21,22)23;1-12-6-8-24-17(10-12)27-19(29)14-11-25-28-9-7-16(26-18(14)28)13-4-2-3-5-15(13)20(21,22)23;1-2/h2-11H,1H3,(H,25,27,29);2-11H,1H3,(H,24,27,29);1-2H3
InChIKeyGOUGALCANDUPSD-UHFFFAOYSA-N
XLogP9.77
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.79
LogP ≤ 59.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734819) is ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC.Cc1cccc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)n1.Cc1ccnc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)c1.
What is the InChIKey of ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GOUGALCANDUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14F3N5O.C2H6/c1-12-5-4-8-17(25-12)27-19(29)14-11-24-28-10-9-16(26-18(14)28)13-6-2-3-7-15(13)20(21,22)23;1-12-6-8-24-17(10-12)27-19(29)14-11-25-28-9-7-16(26-18(14)28)13-4-2-3-5-15(13)20(21,22)23;1-2/h2-11H,1H3,(H,25,27,29);2-11H,1H3,(H,24,27,29);1-2H3.
What are the key properties of ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 824.79 g/mol, XLogP of 9.77, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).