oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate

C23H23N5O4S — CID 137368395

IUPACoxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
SMILESO=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)nc2s1)C1CC1
InChIInChI=1S/C23H23N5O4S/c29-20(13-1-2-13)27-22-26-18-4-3-16(25-21(18)33-22)14-11-19-17(24-12-14)5-8-28(19)23(30)32-15-6-9-31-10-7-15/h3-4,11-13,15H,1-2,5-10H2,(H,26,27,29)
InChIKeyCZLBXASFFGVAQN-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.78
Rot. Bonds4

About oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate

oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 137368395) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID137368395
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Nameoxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
SMILESO=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)nc2s1)C1CC1
InChIInChI=1S/C23H23N5O4S/c29-20(13-1-2-13)27-22-26-18-4-3-16(25-21(18)33-22)14-11-19-17(24-12-14)5-8-28(19)23(30)32-15-6-9-31-10-7-15/h3-4,11-13,15H,1-2,5-10H2,(H,26,27,29)
InChIKeyCZLBXASFFGVAQN-UHFFFAOYSA-N
XLogP3.78
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate with MolForge

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Related Compounds

(1-oxothian-4-yl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 142508034
oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 154645830
CID 158371155
CID 158371155
cycloheptyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142508019
cyclohexyl 7-[2-(methylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167040577
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142507997
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentanecarboxamide
CID 56592947
(4,4-difluorocyclohexyl) N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
CID 166636378

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate (CID 137368395) is oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate is O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)nc2s1)C1CC1.
What is the InChIKey of oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is CZLBXASFFGVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c29-20(13-1-2-13)27-22-26-18-4-3-16(25-21(18)33-22)14-11-19-17(24-12-14)5-8-28(19)23(30)32-15-6-9-31-10-7-15/h3-4,11-13,15H,1-2,5-10H2,(H,26,27,29).
What are the key properties of oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 465.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 137368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).