6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide

C23H22FN7O2 — CID 57378788

IUPAC6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)NC3CCOCC3)cn2)cn1
InChIInChI=1S/C23H22FN7O2/c1-30-22(21(28-29-30)15-2-5-17(24)6-3-15)19-13-31(14-26-19)20-7-4-16(12-25-20)23(32)27-18-8-10-33-11-9-18/h2-7,12-14,18H,8-11H2,1H3,(H,27,32)
InChIKeyWXNIUVSTSCBZBW-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.78
Rot. Bonds5

About 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide

6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 57378788) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID57378788
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)NC3CCOCC3)cn2)cn1
InChIInChI=1S/C23H22FN7O2/c1-30-22(21(28-29-30)15-2-5-17(24)6-3-15)19-13-31(14-26-19)20-7-4-16(12-25-20)23(32)27-18-8-10-33-11-9-18/h2-7,12-14,18H,8-11H2,1H3,(H,27,32)
InChIKeyWXNIUVSTSCBZBW-UHFFFAOYSA-N
XLogP2.78
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 139540952
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 139540756
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
2-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
CID 76512556
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
6-(3-fluorophenyl)-N-[1-[5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24991043
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
4-(2-methyltetrazol-5-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118793021

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 57378788) is 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide is Cn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)NC3CCOCC3)cn2)cn1.
What is the InChIKey of 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is WXNIUVSTSCBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-30-22(21(28-29-30)15-2-5-17(24)6-3-15)19-13-31(14-26-19)20-7-4-16(12-25-20)23(32)27-18-8-10-33-11-9-18/h2-7,12-14,18H,8-11H2,1H3,(H,27,32).
What are the key properties of 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 57378788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).