N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C46H48N12O6 — CID 155253448

IUPACN-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CCCC(O)C3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cc4nn(C)cc4cc3N3CCCC(O)C3)co2)ccn1
InChIInChI=1S/2C23H24N6O3/c1-14-8-15(5-6-24-14)23-27-19(13-32-23)22(31)26-18-10-20-16(11-25-28(20)2)9-21(18)29-7-3-4-17(30)12-29;1-14-8-15(5-6-24-14)23-26-20(13-32-23)22(31)25-19-10-18-16(11-28(2)27-18)9-21(19)29-7-3-4-17(30)12-29/h5-6,8-11,13,17,30H,3-4,7,12H2,1-2H3,(H,26,31);5-6,8-11,13,17,30H,3-4,7,12H2,1-2H3,(H,25,31)
InChIKeyGCADUPFSUDBKMV-UHFFFAOYSA-N
MW864.97 g/mol
LogP6.29
Rot. Bonds8

About N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 155253448) has the molecular formula C46H48N12O6 and a molecular weight of 864.97 g/mol. Its IUPAC name is N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID155253448
Molecular FormulaC46H48N12O6
Molecular Weight864.97 g/mol
Exact Mass864.38
IUPAC NameN-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CCCC(O)C3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cc4nn(C)cc4cc3N3CCCC(O)C3)co2)ccn1
InChIInChI=1S/2C23H24N6O3/c1-14-8-15(5-6-24-14)23-27-19(13-32-23)22(31)26-18-10-20-16(11-25-28(20)2)9-21(18)29-7-3-4-17(30)12-29;1-14-8-15(5-6-24-14)23-26-20(13-32-23)22(31)25-19-10-18-16(11-28(2)27-18)9-21(19)29-7-3-4-17(30)12-29/h5-6,8-11,13,17,30H,3-4,7,12H2,1-2H3,(H,26,31);5-6,8-11,13,17,30H,3-4,7,12H2,1-2H3,(H,25,31)
InChIKeyGCADUPFSUDBKMV-UHFFFAOYSA-N
XLogP6.29
TPSA218.62 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.97
LogP ≤ 56.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 155253448) is N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CCCC(O)C3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cc4nn(C)cc4cc3N3CCCC(O)C3)co2)ccn1.
What is the InChIKey of N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GCADUPFSUDBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24N6O3/c1-14-8-15(5-6-24-14)23-27-19(13-32-23)22(31)26-18-10-20-16(11-25-28(20)2)9-21(18)29-7-3-4-17(30)12-29;1-14-8-15(5-6-24-14)23-26-20(13-32-23)22(31)25-19-10-18-16(11-28(2)27-18)9-21(19)29-7-3-4-17(30)12-29/h5-6,8-11,13,17,30H,3-4,7,12H2,1-2H3,(H,26,31);5-6,8-11,13,17,30H,3-4,7,12H2,1-2H3,(H,25,31).
What are the key properties of N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 864.97 g/mol, XLogP of 6.29, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[5-(3-hydroxypiperidin-1-yl)-2-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155253448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).