(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone

C18H24N6O4 — CID 155497460

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
SMILESCOCCn1nnc(C2CN(C(=O)c3cc4c(nc3OC)CCC4)CCO2)n1
InChIInChI=1S/C18H24N6O4/c1-26-8-7-24-21-16(20-22-24)15-11-23(6-9-28-15)18(25)13-10-12-4-3-5-14(12)19-17(13)27-2/h10,15H,3-9,11H2,1-2H3
InChIKeyHEQTVHMNOVYEQC-UHFFFAOYSA-N
MW388.43 g/mol
LogP0.43
Rot. Bonds6

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone (PubChem CID 155497460) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
PubChem CID155497460
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
SMILESCOCCn1nnc(C2CN(C(=O)c3cc4c(nc3OC)CCC4)CCO2)n1
InChIInChI=1S/C18H24N6O4/c1-26-8-7-24-21-16(20-22-24)15-11-23(6-9-28-15)18(25)13-10-12-4-3-5-14(12)19-17(13)27-2/h10,15H,3-9,11H2,1-2H3
InChIKeyHEQTVHMNOVYEQC-UHFFFAOYSA-N
XLogP0.43
TPSA104.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882144
2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 155502291
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
CID 155496538
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138
6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157013025
1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one
CID 72937889
8a-ethyl-7-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044342
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
CID 155497759
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97147629

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone (CID 155497460) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone is COCCn1nnc(C2CN(C(=O)c3cc4c(nc3OC)CCC4)CCO2)n1.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
The InChIKey is HEQTVHMNOVYEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-26-8-7-24-21-16(20-22-24)15-11-23(6-9-28-15)18(25)13-10-12-4-3-5-14(12)19-17(13)27-2/h10,15H,3-9,11H2,1-2H3.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 155497460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).