2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C25H23F3N6O3 — CID 57485446

IUPAC2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4C(=O)Nc4ccccc4)c3)o2)C1
InChIInChI=1S/C25H23F3N6O3/c1-15-6-5-11-33(14-15)24-32-21(25(26,27)28)20(37-24)22(35)30-18-9-10-19-16(12-18)13-29-34(19)23(36)31-17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,30,35)(H,31,36)
InChIKeyOUTBPGIMQWNPPE-UHFFFAOYSA-N
MW512.49 g/mol
LogP5.61
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 57485446) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID57485446
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4C(=O)Nc4ccccc4)c3)o2)C1
InChIInChI=1S/C25H23F3N6O3/c1-15-6-5-11-33(14-15)24-32-21(25(26,27)28)20(37-24)22(35)30-18-9-10-19-16(12-18)13-29-34(19)23(36)31-17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,30,35)(H,31,36)
InChIKeyOUTBPGIMQWNPPE-UHFFFAOYSA-N
XLogP5.61
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 162672396
CID 162672396
CID 118162585
CID 118162585
CID 118335399
CID 118335399
CID 57461809
CID 57461809
CID 57461810
CID 57461810
CID 57485443
CID 57485443
CID 57485450
CID 57485450
CID 58428942
CID 58428942

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 57485446) is 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4C(=O)Nc4ccccc4)c3)o2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is OUTBPGIMQWNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-15-6-5-11-33(14-15)24-32-21(25(26,27)28)20(37-24)22(35)30-18-9-10-19-16(12-18)13-29-34(19)23(36)31-17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,30,35)(H,31,36).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[1-(phenylcarbamoyl)indazol-5-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 57485446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).