6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H25N5O2 — CID 37314122

IUPAC6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)c12
InChIInChI=1S/C25H25N5O2/c1-15-23-18(13-21(16-5-6-16)28-25(23)32-29-15)24(31)27-20-7-8-22(30-11-3-2-4-12-30)17-9-10-26-14-19(17)20/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,27,31)
InChIKeySWWPLTADWXOFMF-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.20
Rot. Bonds4

About 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 37314122) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID37314122
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)c12
InChIInChI=1S/C25H25N5O2/c1-15-23-18(13-21(16-5-6-16)28-25(23)32-29-15)24(31)27-20-7-8-22(30-11-3-2-4-12-30)17-9-10-26-14-19(17)20/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,27,31)
InChIKeySWWPLTADWXOFMF-UHFFFAOYSA-N
XLogP5.20
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 37314122) is 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)c12.
What is the InChIKey of 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SWWPLTADWXOFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15-23-18(13-21(16-5-6-16)28-25(23)32-29-15)24(31)27-20-7-8-22(30-11-3-2-4-12-30)17-9-10-26-14-19(17)20/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,27,31).
What are the key properties of 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 37314122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).