N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

C22H20FN7O3 — CID 25123227

IUPACN-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
InChIInChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
InChIKeyHSKISFLIRPOYCF-UHFFFAOYSA-N
MW449.45 g/mol
LogP3.30
Rot. Bonds6

About N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 25123227) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID25123227
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC NameN-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
InChIInChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
InChIKeyHSKISFLIRPOYCF-UHFFFAOYSA-N
XLogP3.30
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 25123227) is N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1.
What is the InChIKey of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HSKISFLIRPOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31).
What are the key properties of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 25123227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).