[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone

C23H25N5O2 — CID 163502542

IUPAC[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone
SMILESO=C(C1C=c2ccccc2=N1)N1CCc2[nH]nc(C(=O)N3CCCCC34CC4)c2C1
InChIInChI=1S/C23H25N5O2/c29-21(19-13-15-5-1-2-6-17(15)24-19)27-12-7-18-16(14-27)20(26-25-18)22(30)28-11-4-3-8-23(28)9-10-23/h1-2,5-6,13,19H,3-4,7-12,14H2,(H,25,26)
InChIKeyCVZFJLFFROTFGI-UHFFFAOYSA-N
MW403.49 g/mol
LogP0.94
Rot. Bonds2

About [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone

[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone (PubChem CID 163502542) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone
PubChem CID163502542
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone
SMILESO=C(C1C=c2ccccc2=N1)N1CCc2[nH]nc(C(=O)N3CCCCC34CC4)c2C1
InChIInChI=1S/C23H25N5O2/c29-21(19-13-15-5-1-2-6-17(15)24-19)27-12-7-18-16(14-27)20(26-25-18)22(30)28-11-4-3-8-23(28)9-10-23/h1-2,5-6,13,19H,3-4,7-12,14H2,(H,25,26)
InChIKeyCVZFJLFFROTFGI-UHFFFAOYSA-N
XLogP0.94
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone with MolForge

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Related Compounds

[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
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
5-(cyclobutanecarbonyl)-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873570
furan-3-yl-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076151
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46994041
2-(3-chlorophenyl)-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 46076284
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752938
tert-butyl 3-(3-ethylazetidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 166236396
5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146046787
(2-bromophenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914446

Frequently Asked Questions

What is the IUPAC name of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone?
The IUPAC name of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone (CID 163502542) is [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone.
What is the SMILES notation for [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone?
The canonical SMILES for [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone is O=C(C1C=c2ccccc2=N1)N1CCc2[nH]nc(C(=O)N3CCCCC34CC4)c2C1.
What is the InChIKey of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone?
The InChIKey is CVZFJLFFROTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-21(19-13-15-5-1-2-6-17(15)24-19)27-12-7-18-16(14-27)20(26-25-18)22(30)28-11-4-3-8-23(28)9-10-23/h1-2,5-6,13,19H,3-4,7-12,14H2,(H,25,26).
What are the key properties of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone?
[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2H-indol-2-yl)methanone is sourced from PubChem (CID 163502542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).