Skip to content

6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C20H16ClF6N7O4S — CID 165414000

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ncc(Cl)cn34)cc2F)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H16ClF6N7O4S/c1-38-19-31-33(4-5-34(19)39(36,37)20(25,26)27)13-3-2-10(6-12(13)22)7-28-17(35)15-14(16(23)24)30-18-29-8-11(21)9-32(15)18/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,28,35)
InChIKeyCLRHSLPCWKGPDH-UHFFFAOYSA-N
MW599.90 g/mol
LogP3.28
Rot. Bonds6

About 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 165414000) has the molecular formula C20H16ClF6N7O4S and a molecular weight of 599.90 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID165414000
Molecular FormulaC20H16ClF6N7O4S
Molecular Weight599.90 g/mol
Exact Mass599.06
IUPAC Name6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ncc(Cl)cn34)cc2F)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H16ClF6N7O4S/c1-38-19-31-33(4-5-34(19)39(36,37)20(25,26)27)13-3-2-10(6-12(13)22)7-28-17(35)15-14(16(23)24)30-18-29-8-11(21)9-32(15)18/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,28,35)
InChIKeyCLRHSLPCWKGPDH-UHFFFAOYSA-N
XLogP3.28
TPSA121.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 165414000) is 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is COC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ncc(Cl)cn34)cc2F)CCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CLRHSLPCWKGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF6N7O4S/c1-38-19-31-33(4-5-34(19)39(36,37)20(25,26)27)13-3-2-10(6-12(13)22)7-28-17(35)15-14(16(23)24)30-18-29-8-11(21)9-32(15)18/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,28,35).
What are the key properties of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 599.90 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165414000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.