(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H22N6O3S — CID 158377073

IUPAC(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CC[C@@]4(CCOC4)C3)nc12
InChIInChI=1S/C19H22N6O3S/c1-24-9-12(7-21-24)13-8-20-16(27-2)14-15(13)29-17(22-14)23-18(26)25-5-3-19(10-25)4-6-28-11-19/h7-9H,3-6,10-11H2,1-2H3,(H,22,23,26)/t19-/m1/s1
InChIKeyGVIGLQOYYHBKPK-LJQANCHMSA-N
MW414.49 g/mol
LogP2.74
Rot. Bonds3

About (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 158377073) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID158377073
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CC[C@@]4(CCOC4)C3)nc12
InChIInChI=1S/C19H22N6O3S/c1-24-9-12(7-21-24)13-8-20-16(27-2)14-15(13)29-17(22-14)23-18(26)25-5-3-19(10-25)4-6-28-11-19/h7-9H,3-6,10-11H2,1-2H3,(H,22,23,26)/t19-/m1/s1
InChIKeyGVIGLQOYYHBKPK-LJQANCHMSA-N
XLogP2.74
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 158377073) is (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CC[C@@]4(CCOC4)C3)nc12.
What is the InChIKey of (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is GVIGLQOYYHBKPK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-24-9-12(7-21-24)13-8-20-16(27-2)14-15(13)29-17(22-14)23-18(26)25-5-3-19(10-25)4-6-28-11-19/h7-9H,3-6,10-11H2,1-2H3,(H,22,23,26)/t19-/m1/s1.
What are the key properties of (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 158377073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).