1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C23H25N5O3 — CID 156773198

IUPAC1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCn2ncc(C(=O)N3CCOCCC34CC4)c2C1
InChIInChI=1S/C23H25N5O3/c29-21(27-10-12-31-11-7-23(27)5-6-23)17-14-24-28-9-8-26(15-20(17)28)22(30)19-13-16-3-1-2-4-18(16)25-19/h1-4,13-14,25H,5-12,15H2
InChIKeyBJBZYXQXRRAEBZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.42
Rot. Bonds2

About 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 156773198) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID156773198
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCn2ncc(C(=O)N3CCOCCC34CC4)c2C1
InChIInChI=1S/C23H25N5O3/c29-21(27-10-12-31-11-7-23(27)5-6-23)17-14-24-28-9-8-26(15-20(17)28)22(30)19-13-16-3-1-2-4-18(16)25-19/h1-4,13-14,25H,5-12,15H2
InChIKeyBJBZYXQXRRAEBZ-UHFFFAOYSA-N
XLogP2.42
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone with MolForge

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Related Compounds

1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 156773149
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110108358
[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576821
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
CID 156770531
1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone
CID 167948450
1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770528
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 156773198) is 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCn2ncc(C(=O)N3CCOCCC34CC4)c2C1.
What is the InChIKey of 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is BJBZYXQXRRAEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-21(27-10-12-31-11-7-23(27)5-6-23)17-14-24-28-9-8-26(15-20(17)28)22(30)19-13-16-3-1-2-4-18(16)25-19/h1-4,13-14,25H,5-12,15H2.
What are the key properties of 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 419.49 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 156773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).