[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate

C22H25N5O4 — CID 90775379

IUPAC[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate
SMILESCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1OC(=O)NC(C)(C)C
InChIInChI=1S/C22H25N5O4/c1-13-5-8-15(11-17(13)31-21(29)25-22(2,3)4)30-16-9-10-18-23-20(26-27(18)12-16)24-19(28)14-6-7-14/h5,8-12,14H,6-7H2,1-4H3,(H,25,29)(H,24,26,28)
InChIKeyDDFXNPFXKSAYND-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.07
Rot. Bonds5

About [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate

[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate (PubChem CID 90775379) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate
PubChem CID90775379
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate
SMILESCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1OC(=O)NC(C)(C)C
InChIInChI=1S/C22H25N5O4/c1-13-5-8-15(11-17(13)31-21(29)25-22(2,3)4)30-16-9-10-18-23-20(26-27(18)12-16)24-19(28)14-6-7-14/h5,8-12,14H,6-7H2,1-4H3,(H,25,29)(H,24,26,28)
InChIKeyDDFXNPFXKSAYND-UHFFFAOYSA-N
XLogP4.07
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate?
The IUPAC name of [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate (CID 90775379) is [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate.
What is the SMILES notation for [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate?
The canonical SMILES for [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate is Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1OC(=O)NC(C)(C)C.
What is the InChIKey of [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate?
The InChIKey is DDFXNPFXKSAYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13-5-8-15(11-17(13)31-21(29)25-22(2,3)4)30-16-9-10-18-23-20(26-27(18)12-16)24-19(28)14-6-7-14/h5,8-12,14H,6-7H2,1-4H3,(H,25,29)(H,24,26,28).
What are the key properties of [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate?
[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate has a molecular weight of 423.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate is sourced from PubChem (CID 90775379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).