4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C23H21F2N7OS — CID 90383206

IUPAC4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESC=Cc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)nc1C(F)F
InChIInChI=1S/C23H21F2N7OS/c1-3-16-18(20(24)25)29-23(34-16)15-12-26-31(2)19(15)22(33)27-14-9-10-32-17(11-14)28-21(30-32)13-7-5-4-6-8-13/h3-8,12,14,20H,1,9-11H2,2H3,(H,27,33)
InChIKeyOTPUBNXDMJYPTC-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.13
Rot. Bonds6

About 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383206) has the molecular formula C23H21F2N7OS and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383206
Molecular FormulaC23H21F2N7OS
Molecular Weight481.53 g/mol
Exact Mass481.15
IUPAC Name4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESC=Cc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)nc1C(F)F
InChIInChI=1S/C23H21F2N7OS/c1-3-16-18(20(24)25)29-23(34-16)15-12-26-31(2)19(15)22(33)27-14-9-10-32-17(11-14)28-21(30-32)13-7-5-4-6-8-13/h3-8,12,14,20H,1,9-11H2,2H3,(H,27,33)
InChIKeyOTPUBNXDMJYPTC-UHFFFAOYSA-N
XLogP4.13
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383206) is 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is C=Cc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is OTPUBNXDMJYPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7OS/c1-3-16-18(20(24)25)29-23(34-16)15-12-26-31(2)19(15)22(33)27-14-9-10-32-17(11-14)28-21(30-32)13-7-5-4-6-8-13/h3-8,12,14,20H,1,9-11H2,2H3,(H,27,33).
What are the key properties of 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-5-ethenyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).