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

C23H23FN6O2 — CID 118226501

IUPACN-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(F)CC3)co2)ccn1
InChIInChI=1S/C23H23FN6O2/c1-14-9-15(3-6-25-14)23-28-19(13-32-23)22(31)27-18-10-16-12-26-29(2)20(16)11-21(18)30-7-4-17(24)5-8-30/h3,6,9-13,17H,4-5,7-8H2,1-2H3,(H,27,31)
InChIKeySFVLQDMLQGBBIG-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.12
Rot. Bonds4

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

N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118226501) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID118226501
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(F)CC3)co2)ccn1
InChIInChI=1S/C23H23FN6O2/c1-14-9-15(3-6-25-14)23-28-19(13-32-23)22(31)27-18-10-16-12-26-29(2)20(16)11-21(18)30-7-4-17(24)5-8-30/h3,6,9-13,17H,4-5,7-8H2,1-2H3,(H,27,31)
InChIKeySFVLQDMLQGBBIG-UHFFFAOYSA-N
XLogP4.12
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118226501) is N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(F)CC3)co2)ccn1.
What is the InChIKey of N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SFVLQDMLQGBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-9-15(3-6-25-14)23-28-19(13-32-23)22(31)27-18-10-16-12-26-29(2)20(16)11-21(18)30-7-4-17(24)5-8-30/h3,6,9-13,17H,4-5,7-8H2,1-2H3,(H,27,31).
What are the key properties of N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).