5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C24H25FN6O2 — CID 142734176

IUPAC5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)c(-c3cc4c(C)nn(C)c4cc3N3CCC(F)CC3)o2)ccn1
InChIInChI=1S/C24H25FN6O2/c1-13-10-15(4-7-27-13)24-28-21(23(26)32)22(33-24)18-11-17-14(2)29-30(3)19(17)12-20(18)31-8-5-16(25)6-9-31/h4,7,10-12,16H,5-6,8-9H2,1-3H3,(H2,26,32)
InChIKeyLAKCQWQQAOIESX-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.94
Rot. Bonds4

About 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 142734176) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID142734176
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)c(-c3cc4c(C)nn(C)c4cc3N3CCC(F)CC3)o2)ccn1
InChIInChI=1S/C24H25FN6O2/c1-13-10-15(4-7-27-13)24-28-21(23(26)32)22(33-24)18-11-17-14(2)29-30(3)19(17)12-20(18)31-8-5-16(25)6-9-31/h4,7,10-12,16H,5-6,8-9H2,1-3H3,(H2,26,32)
InChIKeyLAKCQWQQAOIESX-UHFFFAOYSA-N
XLogP3.94
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-4-yl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
CID 46884847
2-(pyridin-2-yl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
CID 25018073
5-Fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555289
N-[1-[2-(6-methoxypyrrolo[3,2-c]pyridin-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162113
N-[1-(2-indol-1-ylethyl)pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162239
N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162627
2-Indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802787
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
CID 71664645
5-[4-(3,3-Dimethyl-1-piperazinyl)phenyl]-2-(5-methyl-1H-indol-4-yl)-4-oxazolecarboxamide
CID 71678205
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
CID 71678206
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
CID 71678210

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 142734176) is 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(N)=O)c(-c3cc4c(C)nn(C)c4cc3N3CCC(F)CC3)o2)ccn1.
What is the InChIKey of 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LAKCQWQQAOIESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-13-10-15(4-7-27-13)24-28-21(23(26)32)22(33-24)18-11-17-14(2)29-30(3)19(17)12-20(18)31-8-5-16(25)6-9-31/h4,7,10-12,16H,5-6,8-9H2,1-3H3,(H2,26,32).
What are the key properties of 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142734176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).