N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide

C21H22N4O3 — CID 159878969

IUPACN-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
SMILESCOc1ccc(-c2ccncc2)c2c1CC(NC(=O)N1CCC3(COC3)C1)=N2
InChIInChI=1S/C21H22N4O3/c1-27-17-3-2-15(14-4-7-22-8-5-14)19-16(17)10-18(23-19)24-20(26)25-9-6-21(11-25)12-28-13-21/h2-5,7-8H,6,9-13H2,1H3,(H,23,24,26)
InChIKeyNTGZZIKXXZNOQR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.78
Rot. Bonds2

About N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide

N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide (PubChem CID 159878969) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
PubChem CID159878969
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
SMILESCOc1ccc(-c2ccncc2)c2c1CC(NC(=O)N1CCC3(COC3)C1)=N2
InChIInChI=1S/C21H22N4O3/c1-27-17-3-2-15(14-4-7-22-8-5-14)19-16(17)10-18(23-19)24-20(26)25-9-6-21(11-25)12-28-13-21/h2-5,7-8H,6,9-13H2,1H3,(H,23,24,26)
InChIKeyNTGZZIKXXZNOQR-UHFFFAOYSA-N
XLogP2.78
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-7-pyridin-3-yl-3H-indol-2-yl)cyclopropanecarboxamide
CID 158644717
[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate
CID 167705999
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
(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
N-(4-methyl-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146084717
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
methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate
CID 139017657
N-(2-methoxy-5-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 24731278
N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 170141715
N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738740
N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 160725666

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide?
The IUPAC name of N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide (CID 159878969) is N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide?
The canonical SMILES for N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide is COc1ccc(-c2ccncc2)c2c1CC(NC(=O)N1CCC3(COC3)C1)=N2.
What is the InChIKey of N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide?
The InChIKey is NTGZZIKXXZNOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-3-2-15(14-4-7-22-8-5-14)19-16(17)10-18(23-19)24-20(26)25-9-6-21(11-25)12-28-13-21/h2-5,7-8H,6,9-13H2,1H3,(H,23,24,26).
What are the key properties of N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide?
N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 159878969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).