2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C20H26N4O3 — CID 131690823

IUPAC2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3cnn4ccccc34)CC2)C1=O
InChIInChI=1S/C20H26N4O3/c1-27-14-13-23-9-4-6-20(19(23)26)7-11-22(12-8-20)18(25)16-15-21-24-10-3-2-5-17(16)24/h2-3,5,10,15H,4,6-9,11-14H2,1H3
InChIKeyBGHBNDQGGJDDSO-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 131690823) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID131690823
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3cnn4ccccc34)CC2)C1=O
InChIInChI=1S/C20H26N4O3/c1-27-14-13-23-9-4-6-20(19(23)26)7-11-22(12-8-20)18(25)16-15-21-24-10-3-2-5-17(16)24/h2-3,5,10,15H,4,6-9,11-14H2,1H3
InChIKeyBGHBNDQGGJDDSO-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131691720
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
9-(2,5-difluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131690837
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343
(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895274
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
7-(2-methoxyethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898036

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 131690823) is 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is COCCN1CCCC2(CCN(C(=O)c3cnn4ccccc34)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is BGHBNDQGGJDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-14-13-23-9-4-6-20(19(23)26)7-11-22(12-8-20)18(25)16-15-21-24-10-3-2-5-17(16)24/h2-3,5,10,15H,4,6-9,11-14H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 370.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131690823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).