2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione

C23H29N3O5 — CID 140665148

IUPAC2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione
SMILESO=C1C=C(CCOc2cc3n(n2)CCCC3)C(=O)ON(C23CC4CC(CC(C4)C2)C3)O1
InChIInChI=1S/C23H29N3O5/c27-21-10-18(4-6-29-20-11-19-3-1-2-5-25(19)24-20)22(28)31-26(30-21)23-12-15-7-16(13-23)9-17(8-15)14-23/h10-11,15-17H,1-9,12-14H2
InChIKeyMRSIAXLUGSWICX-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.12
Rot. Bonds5

About 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione

2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione (PubChem CID 140665148) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione.

Molecular Properties

Compound Name2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione
PubChem CID140665148
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione
SMILESO=C1C=C(CCOc2cc3n(n2)CCCC3)C(=O)ON(C23CC4CC(CC(C4)C2)C3)O1
InChIInChI=1S/C23H29N3O5/c27-21-10-18(4-6-29-20-11-19-3-1-2-5-25(19)24-20)22(28)31-26(30-21)23-12-15-7-16(13-23)9-17(8-15)14-23/h10-11,15-17H,1-9,12-14H2
InChIKeyMRSIAXLUGSWICX-UHFFFAOYSA-N
XLogP3.12
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
CID 140665214
3-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]-7,12-dioxa-6λ4-thia-3-azaspiro[5.6]dodec-9-ene-8,11-dione
CID 140665244
(Z)-but-2-enedioic acid;N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]adamantan-2-amine
CID 134607217
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(Z)-but-2-enedioic acid
CID 71711400
but-2-enedioic acid;N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine
CID 78155079
(Z)-but-2-enedioic acid;4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]-1,4-oxazepane
CID 71711523
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
CID 71814127
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
CID 53392102
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 11845421
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-hydroperoxyperoxybut-2-yne
CID 157397448
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine;dihydrochloride
CID 122156683

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione?
The IUPAC name of 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione (CID 140665148) is 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione.
What is the SMILES notation for 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione?
The canonical SMILES for 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione is O=C1C=C(CCOc2cc3n(n2)CCCC3)C(=O)ON(C23CC4CC(CC(C4)C2)C3)O1.
What is the InChIKey of 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione?
The InChIKey is MRSIAXLUGSWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c27-21-10-18(4-6-29-20-11-19-3-1-2-5-25(19)24-20)22(28)31-26(30-21)23-12-15-7-16(13-23)9-17(8-15)14-23/h10-11,15-17H,1-9,12-14H2.
What are the key properties of 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione?
2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione has a molecular weight of 427.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,3,2-dioxazepine-4,7-dione is sourced from PubChem (CID 140665148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).