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

C21H29N5O4S — CID 142524382

IUPACN-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCOC1(C)CN(c2cnc(OC)c3nc(NC(=O)N4CCC5(CCOC5)C4)sc23)C1
InChIInChI=1S/C21H29N5O4S/c1-4-30-20(2)10-26(11-20)14-9-22-17(28-3)15-16(14)31-18(23-15)24-19(27)25-7-5-21(12-25)6-8-29-13-21/h9H,4-8,10-13H2,1-3H3,(H,23,24,27)
InChIKeyNORNDCAFFGOCRV-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.96
Rot. Bonds5

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

N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 142524382) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID142524382
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC NameN-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCOC1(C)CN(c2cnc(OC)c3nc(NC(=O)N4CCC5(CCOC5)C4)sc23)C1
InChIInChI=1S/C21H29N5O4S/c1-4-30-20(2)10-26(11-20)14-9-22-17(28-3)15-16(14)31-18(23-15)24-19(27)25-7-5-21(12-25)6-8-29-13-21/h9H,4-8,10-13H2,1-3H3,(H,23,24,27)
InChIKeyNORNDCAFFGOCRV-UHFFFAOYSA-N
XLogP2.96
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[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 N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 142524382) is N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CCOC1(C)CN(c2cnc(OC)c3nc(NC(=O)N4CCC5(CCOC5)C4)sc23)C1.
What is the InChIKey of N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is NORNDCAFFGOCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-4-30-20(2)10-26(11-20)14-9-22-17(28-3)15-16(14)31-18(23-15)24-19(27)25-7-5-21(12-25)6-8-29-13-21/h9H,4-8,10-13H2,1-3H3,(H,23,24,27).
What are the key properties of N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 142524382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).