5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide

C25H19F2N5O3S — CID 151270950

IUPAC5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccc4c(c3)CN(C(=O)Nc3ccc(F)cc3F)C4)nc2s1)C1CC1
InChIInChI=1S/C25H19F2N5O3S/c26-16-4-6-19(18(27)10-16)29-25(34)32-11-14-3-5-17(9-15(14)12-32)35-21-8-7-20-23(30-21)36-24(28-20)31-22(33)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,29,34)(H,28,31,33)
InChIKeyNWIUJOJSPYYXGG-UHFFFAOYSA-N
MW507.52 g/mol
LogP5.66
Rot. Bonds5

About 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide

5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 151270950) has the molecular formula C25H19F2N5O3S and a molecular weight of 507.52 g/mol. Its IUPAC name is 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID151270950
Molecular FormulaC25H19F2N5O3S
Molecular Weight507.52 g/mol
Exact Mass507.12
IUPAC Name5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccc4c(c3)CN(C(=O)Nc3ccc(F)cc3F)C4)nc2s1)C1CC1
InChIInChI=1S/C25H19F2N5O3S/c26-16-4-6-19(18(27)10-16)29-25(34)32-11-14-3-5-17(9-15(14)12-32)35-21-8-7-20-23(30-21)36-24(28-20)31-22(33)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,29,34)(H,28,31,33)
InChIKeyNWIUJOJSPYYXGG-UHFFFAOYSA-N
XLogP5.66
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide (CID 151270950) is 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide is O=C(Nc1nc2ccc(Oc3ccc4c(c3)CN(C(=O)Nc3ccc(F)cc3F)C4)nc2s1)C1CC1.
What is the InChIKey of 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is NWIUJOJSPYYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3S/c26-16-4-6-19(18(27)10-16)29-25(34)32-11-14-3-5-17(9-15(14)12-32)35-21-8-7-20-23(30-21)36-24(28-20)31-22(33)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,29,34)(H,28,31,33).
What are the key properties of 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide?
5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 151270950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).