(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

C19H19N5O2S — CID 148801355

IUPAC(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)N1C[C@H]2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C19H19N5O2S/c20-18(25)24-11-13-8-14(24)10-23(13)9-12-3-5-15(6-4-12)26-19-22-17-16(27-19)2-1-7-21-17/h1-7,13-14H,8-11H2,(H2,20,25)/t13-,14?/m1/s1
InChIKeyOOBWQFHIGATFJL-KWCCSABGSA-N
MW381.46 g/mol
LogP2.82
Rot. Bonds4

About (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 148801355) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID148801355
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)N1C[C@H]2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C19H19N5O2S/c20-18(25)24-11-13-8-14(24)10-23(13)9-12-3-5-15(6-4-12)26-19-22-17-16(27-19)2-1-7-21-17/h1-7,13-14H,8-11H2,(H2,20,25)/t13-,14?/m1/s1
InChIKeyOOBWQFHIGATFJL-KWCCSABGSA-N
XLogP2.82
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (CID 148801355) is (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is NC(=O)N1C[C@H]2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1.
What is the InChIKey of (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OOBWQFHIGATFJL-KWCCSABGSA-N. The full InChI is InChI=1S/C19H19N5O2S/c20-18(25)24-11-13-8-14(24)10-23(13)9-12-3-5-15(6-4-12)26-19-22-17-16(27-19)2-1-7-21-17/h1-7,13-14H,8-11H2,(H2,20,25)/t13-,14?/m1/s1.
What are the key properties of (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 148801355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).