N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C24H18F3N5O2S — CID 67454757

IUPACN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)NC(=O)N1
InChIInChI=1S/C24H18F3N5O2S/c1-12-20(22(33)30-16-6-7-17-14(10-16)11-28-32-17)21(31-23(34)29-12)19-9-8-18(35-19)13-2-4-15(5-3-13)24(25,26)27/h2-11,21H,1H3,(H,28,32)(H,30,33)(H2,29,31,34)
InChIKeyRIIGMEADPXMBJU-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.58
Rot. Bonds4

About N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 67454757) has the molecular formula C24H18F3N5O2S and a molecular weight of 497.50 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID67454757
Molecular FormulaC24H18F3N5O2S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)NC(=O)N1
InChIInChI=1S/C24H18F3N5O2S/c1-12-20(22(33)30-16-6-7-17-14(10-16)11-28-32-17)21(31-23(34)29-12)19-9-8-18(35-19)13-2-4-15(5-3-13)24(25,26)27/h2-11,21H,1H3,(H,28,32)(H,30,33)(H2,29,31,34)
InChIKeyRIIGMEADPXMBJU-UHFFFAOYSA-N
XLogP5.58
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 67454757) is N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)NC(=O)N1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is RIIGMEADPXMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2S/c1-12-20(22(33)30-16-6-7-17-14(10-16)11-28-32-17)21(31-23(34)29-12)19-9-8-18(35-19)13-2-4-15(5-3-13)24(25,26)27/h2-11,21H,1H3,(H,28,32)(H,30,33)(H2,29,31,34).
What are the key properties of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 5.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 67454757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).