5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide

C31H30N6O3 — CID 71036650

IUPAC5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)no1
InChIInChI=1S/C31H30N6O3/c1-20-13-15-36(16-14-20)26-8-3-22(4-9-26)30(38)34-25-7-12-29-23(18-25)19-32-37(29)27-10-5-24(6-11-27)33-31(39)28-17-21(2)40-35-28/h3-12,17-20H,13-16H2,1-2H3,(H,33,39)(H,34,38)
InChIKeyLCUJZSMDRTUTNT-UHFFFAOYSA-N
MW534.62 g/mol
LogP6.06
Rot. Bonds6

About 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 71036650) has the molecular formula C31H30N6O3 and a molecular weight of 534.62 g/mol. Its IUPAC name is 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID71036650
Molecular FormulaC31H30N6O3
Molecular Weight534.62 g/mol
Exact Mass534.24
IUPAC Name5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)no1
InChIInChI=1S/C31H30N6O3/c1-20-13-15-36(16-14-20)26-8-3-22(4-9-26)30(38)34-25-7-12-29-23(18-25)19-32-37(29)27-10-5-24(6-11-27)33-31(39)28-17-21(2)40-35-28/h3-12,17-20H,13-16H2,1-2H3,(H,33,39)(H,34,38)
InChIKeyLCUJZSMDRTUTNT-UHFFFAOYSA-N
XLogP6.06
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide (CID 71036650) is 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)no1.
What is the InChIKey of 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LCUJZSMDRTUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O3/c1-20-13-15-36(16-14-20)26-8-3-22(4-9-26)30(38)34-25-7-12-29-23(18-25)19-32-37(29)27-10-5-24(6-11-27)33-31(39)28-17-21(2)40-35-28/h3-12,17-20H,13-16H2,1-2H3,(H,33,39)(H,34,38).
What are the key properties of 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 534.62 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71036650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).