6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

C26H20ClN7O2 — CID 175457740

IUPAC6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NN3C=COC3c3c[nH]c4ccccc34)cc(-c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C26H20ClN7O2/c1-33-15-17(13-29-33)24-30-22(16-6-8-18(27)9-7-16)12-23(31-24)25(35)32-34-10-11-36-26(34)20-14-28-21-5-3-2-4-19(20)21/h2-15,26,28H,1H3,(H,32,35)
InChIKeyHVYTWTMUVIGSNO-UHFFFAOYSA-N
MW497.95 g/mol
LogP4.83
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 175457740) has the molecular formula C26H20ClN7O2 and a molecular weight of 497.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID175457740
Molecular FormulaC26H20ClN7O2
Molecular Weight497.95 g/mol
Exact Mass497.14
IUPAC Name6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NN3C=COC3c3c[nH]c4ccccc34)cc(-c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C26H20ClN7O2/c1-33-15-17(13-29-33)24-30-22(16-6-8-18(27)9-7-16)12-23(31-24)25(35)32-34-10-11-36-26(34)20-14-28-21-5-3-2-4-19(20)21/h2-15,26,28H,1H3,(H,32,35)
InChIKeyHVYTWTMUVIGSNO-UHFFFAOYSA-N
XLogP4.83
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.95
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (CID 175457740) is 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is Cn1cc(-c2nc(C(=O)NN3C=COC3c3c[nH]c4ccccc34)cc(-c3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is HVYTWTMUVIGSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN7O2/c1-33-15-17(13-29-33)24-30-22(16-6-8-18(27)9-7-16)12-23(31-24)25(35)32-34-10-11-36-26(34)20-14-28-21-5-3-2-4-19(20)21/h2-15,26,28H,1H3,(H,32,35).
What are the key properties of 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 497.95 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)-2H-1,3-oxazol-3-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 175457740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).