2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide

C24H25FN6O2 — CID 118226391

IUPAC2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCC(F)CC3)co2)cc(C)n1
InChIInChI=1S/C24H25FN6O2/c1-14-8-16(9-15(2)26-14)24-28-21(13-33-24)23(32)27-20-10-17-12-30(3)29-19(17)11-22(20)31-6-4-18(25)5-7-31/h8-13,18H,4-7H2,1-3H3,(H,27,32)
InChIKeyIASCGIVFAOXAGI-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.43
Rot. Bonds4

About 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide

2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118226391) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID118226391
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCC(F)CC3)co2)cc(C)n1
InChIInChI=1S/C24H25FN6O2/c1-14-8-16(9-15(2)26-14)24-28-21(13-33-24)23(32)27-20-10-17-12-30(3)29-19(17)11-22(20)31-6-4-18(25)5-7-31/h8-13,18H,4-7H2,1-3H3,(H,27,32)
InChIKeyIASCGIVFAOXAGI-UHFFFAOYSA-N
XLogP4.43
TPSA89.08 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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide (CID 118226391) is 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCC(F)CC3)co2)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is IASCGIVFAOXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14-8-16(9-15(2)26-14)24-28-21(13-33-24)23(32)27-20-10-17-12-30(3)29-19(17)11-22(20)31-6-4-18(25)5-7-31/h8-13,18H,4-7H2,1-3H3,(H,27,32).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).