7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C24H27N5O2 — CID 175643268

IUPAC7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3nn(Cc4ccccc4)c4ncccc34)C2)C1=O
InChIInChI=1S/C24H27N5O2/c1-2-13-27-14-10-24(23(27)31)11-15-28(17-24)22(30)20-19-9-6-12-25-21(19)29(26-20)16-18-7-4-3-5-8-18/h3-9,12H,2,10-11,13-17H2,1H3
InChIKeyDNFHCNULTBNBHA-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.95
Rot. Bonds5

About 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643268) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175643268
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3nn(Cc4ccccc4)c4ncccc34)C2)C1=O
InChIInChI=1S/C24H27N5O2/c1-2-13-27-14-10-24(23(27)31)11-15-28(17-24)22(30)20-19-9-6-12-25-21(19)29(26-20)16-18-7-4-3-5-8-18/h3-9,12H,2,10-11,13-17H2,1H3
InChIKeyDNFHCNULTBNBHA-UHFFFAOYSA-N
XLogP2.95
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040386
7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175642149
[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 141164806
5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146041099
7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176500159
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166624112
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176500913
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-benzylphthalazin-1-one
CID 120809545
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methanone
CID 163313482
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 175643268) is 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)c3nn(Cc4ccccc4)c4ncccc34)C2)C1=O.
What is the InChIKey of 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is DNFHCNULTBNBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-13-27-14-10-24(23(27)31)11-15-28(17-24)22(30)20-19-9-6-12-25-21(19)29(26-20)16-18-7-4-3-5-8-18/h3-9,12H,2,10-11,13-17H2,1H3.
What are the key properties of 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 417.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).