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

C22H21N7O3 — CID 25127856

IUPACN-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1
InChIInChI=1S/C22H21N7O3/c1-13-10-18(28(2)26-13)21(31)23-15-4-3-5-16(11-15)32-17-8-9-19-24-22(27-29(19)12-17)25-20(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,27,30)
InChIKeyXYJONLOLMGUYBZ-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.16
Rot. Bonds6

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

N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 25127856) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID25127856
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC NameN-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1
InChIInChI=1S/C22H21N7O3/c1-13-10-18(28(2)26-13)21(31)23-15-4-3-5-16(11-15)32-17-8-9-19-24-22(27-29(19)12-17)25-20(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,27,30)
InChIKeyXYJONLOLMGUYBZ-UHFFFAOYSA-N
XLogP3.16
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 25127856) is N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1.
What is the InChIKey of N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XYJONLOLMGUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-13-10-18(28(2)26-13)21(31)23-15-4-3-5-16(11-15)32-17-8-9-19-24-22(27-29(19)12-17)25-20(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,27,30).
What are the key properties of N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 25127856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).