N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

C20H26N6O3S — CID 146652498

IUPACN-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOC1=NC=C(c2cnn(C)c2)C2SC(NC(=O)N3CCC4(CCCOC4)C3)=NC12
InChIInChI=1S/C20H26N6O3S/c1-25-10-13(8-22-25)14-9-21-17(28-2)15-16(14)30-18(23-15)24-19(27)26-6-5-20(11-26)4-3-7-29-12-20/h8-10,15-16H,3-7,11-12H2,1-2H3,(H,23,24,27)
InChIKeyWBROANGKOJYOIJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.87
Rot. Bonds1

About N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 146652498) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID146652498
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC NameN-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOC1=NC=C(c2cnn(C)c2)C2SC(NC(=O)N3CCC4(CCCOC4)C3)=NC12
InChIInChI=1S/C20H26N6O3S/c1-25-10-13(8-22-25)14-9-21-17(28-2)15-16(14)30-18(23-15)24-19(27)26-6-5-20(11-26)4-3-7-29-12-20/h8-10,15-16H,3-7,11-12H2,1-2H3,(H,23,24,27)
InChIKeyWBROANGKOJYOIJ-UHFFFAOYSA-N
XLogP1.87
TPSA93.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

(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
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
CID 167705786
N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
CID 162076476
(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738655
N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
CID 159878969
N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 154973247
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128636882
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760
N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128687065
N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 127865471
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 146652498) is N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is COC1=NC=C(c2cnn(C)c2)C2SC(NC(=O)N3CCC4(CCCOC4)C3)=NC12.
What is the InChIKey of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is WBROANGKOJYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-25-10-13(8-22-25)14-9-21-17(28-2)15-16(14)30-18(23-15)24-19(27)26-6-5-20(11-26)4-3-7-29-12-20/h8-10,15-16H,3-7,11-12H2,1-2H3,(H,23,24,27).
What are the key properties of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 146652498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).