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

C40H32F7N11O3 — CID 144734839

IUPACethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.COC1=NCC=C(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)N1.O=C(Nc1ccc(F)cn1)c1cnn2ccc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C19H11F4N5O.C19H15F3N6O2.C2H6/c20-11-5-6-16(24-9-11)27-18(29)13-10-25-28-8-7-15(26-17(13)28)12-3-1-2-4-14(12)19(21,22)23;1-30-18-23-8-6-15(27-18)26-17(29)12-10-24-28-9-7-14(25-16(12)28)11-4-2-3-5-13(11)19(20,21)22;1-2/h1-10H,(H,24,27,29);2-7,9-10H,8H2,1H3,(H,23,27)(H,26,29);1-2H3
InChIKeyOSFDEJPLGBPAFG-UHFFFAOYSA-N
MW847.76 g/mol
LogP7.82
Rot. Bonds6

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

ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734839) has the molecular formula C40H32F7N11O3 and a molecular weight of 847.76 g/mol. Its IUPAC name is ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144734839
Molecular FormulaC40H32F7N11O3
Molecular Weight847.76 g/mol
Exact Mass847.26
IUPAC Nameethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.COC1=NCC=C(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)N1.O=C(Nc1ccc(F)cn1)c1cnn2ccc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C19H11F4N5O.C19H15F3N6O2.C2H6/c20-11-5-6-16(24-9-11)27-18(29)13-10-25-28-8-7-15(26-17(13)28)12-3-1-2-4-14(12)19(21,22)23;1-30-18-23-8-6-15(27-18)26-17(29)12-10-24-28-9-7-14(25-16(12)28)11-4-2-3-5-13(11)19(20,21)22;1-2/h1-10H,(H,24,27,29);2-7,9-10H,8H2,1H3,(H,23,27)(H,26,29);1-2H3
InChIKeyOSFDEJPLGBPAFG-UHFFFAOYSA-N
XLogP7.82
TPSA165.09 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.76
LogP ≤ 57.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-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-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734839) is ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC.COC1=NCC=C(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)N1.O=C(Nc1ccc(F)cn1)c1cnn2ccc(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OSFDEJPLGBPAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N5O.C19H15F3N6O2.C2H6/c20-11-5-6-16(24-9-11)27-18(29)13-10-25-28-8-7-15(26-17(13)28)12-3-1-2-4-14(12)19(21,22)23;1-30-18-23-8-6-15(27-18)26-17(29)12-10-24-28-9-7-14(25-16(12)28)11-4-2-3-5-13(11)19(20,21)22;1-2/h1-10H,(H,24,27,29);2-7,9-10H,8H2,1H3,(H,23,27)(H,26,29);1-2H3.
What are the key properties of ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 847.76 g/mol, XLogP of 7.82, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).