N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide

C22H20FN7O3 — CID 67775470

IUPACN-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
SMILESCOC1CN(C(=O)c2cnn(C)c2C(=O)Nc2ccn3nc(-c4cccc(F)c4)nc3c2)C1
InChIInChI=1S/C22H20FN7O3/c1-28-19(17(10-24-28)22(32)29-11-16(12-29)33-2)21(31)25-15-6-7-30-18(9-15)26-20(27-30)13-4-3-5-14(23)8-13/h3-10,16H,11-12H2,1-2H3,(H,25,31)
InChIKeyWYPCJQTZDHVAPS-UHFFFAOYSA-N
MW449.45 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide

N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide (PubChem CID 67775470) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
PubChem CID67775470
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC NameN-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
SMILESCOC1CN(C(=O)c2cnn(C)c2C(=O)Nc2ccn3nc(-c4cccc(F)c4)nc3c2)C1
InChIInChI=1S/C22H20FN7O3/c1-28-19(17(10-24-28)22(32)29-11-16(12-29)33-2)21(31)25-15-6-7-30-18(9-15)26-20(27-30)13-4-3-5-14(23)8-13/h3-10,16H,11-12H2,1-2H3,(H,25,31)
InChIKeyWYPCJQTZDHVAPS-UHFFFAOYSA-N
XLogP1.99
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide (CID 67775470) is N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide is COC1CN(C(=O)c2cnn(C)c2C(=O)Nc2ccn3nc(-c4cccc(F)c4)nc3c2)C1.
What is the InChIKey of N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is WYPCJQTZDHVAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3/c1-28-19(17(10-24-28)22(32)29-11-16(12-29)33-2)21(31)25-15-6-7-30-18(9-15)26-20(27-30)13-4-3-5-14(23)8-13/h3-10,16H,11-12H2,1-2H3,(H,25,31).
What are the key properties of N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(3-methoxyazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 67775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).