(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C27H23N3O2S — CID 86344556

IUPAC(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C27H23N3O2S/c31-24-14-20(13-19-7-3-6-17-5-1-2-9-22(17)19)25(18-10-11-18)27-30(24)23(16-33-27)26(32)29-21-8-4-12-28-15-21/h1-9,12,14-15,18,23H,10-11,13,16H2,(H,29,32)/t23-/m0/s1
InChIKeySMBYXWXVPIXQDK-QHCPKHFHSA-N
MW453.57 g/mol
LogP5.15
Rot. Bonds5

About (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 86344556) has the molecular formula C27H23N3O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID86344556
Molecular FormulaC27H23N3O2S
Molecular Weight453.57 g/mol
Exact Mass453.15
IUPAC Name(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C27H23N3O2S/c31-24-14-20(13-19-7-3-6-17-5-1-2-9-22(17)19)25(18-10-11-18)27-30(24)23(16-33-27)26(32)29-21-8-4-12-28-15-21/h1-9,12,14-15,18,23H,10-11,13,16H2,(H,29,32)/t23-/m0/s1
InChIKeySMBYXWXVPIXQDK-QHCPKHFHSA-N
XLogP5.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 86344556) is (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is O=C(Nc1cccnc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.
What is the InChIKey of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is SMBYXWXVPIXQDK-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H23N3O2S/c31-24-14-20(13-19-7-3-6-17-5-1-2-9-22(17)19)25(18-10-11-18)27-30(24)23(16-33-27)26(32)29-21-8-4-12-28-15-21/h1-9,12,14-15,18,23H,10-11,13,16H2,(H,29,32)/t23-/m0/s1.
What are the key properties of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86344556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).