(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

C25H23N7O — CID 42934174

IUPAC(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3c3nnc4ccccn34)c12
InChIInChI=1S/C25H23N7O/c1-16-22-18(15-19(17-9-4-3-5-10-17)26-24(22)30(2)29-16)25(33)31-14-8-11-20(31)23-28-27-21-12-6-7-13-32(21)23/h3-7,9-10,12-13,15,20H,8,11,14H2,1-2H3
InChIKeyUVVQOFOYTPWIND-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.96
Rot. Bonds3

About (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 42934174) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID42934174
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3c3nnc4ccccn34)c12
InChIInChI=1S/C25H23N7O/c1-16-22-18(15-19(17-9-4-3-5-10-17)26-24(22)30(2)29-16)25(33)31-14-8-11-20(31)23-28-27-21-12-6-7-13-32(21)23/h3-7,9-10,12-13,15,20H,8,11,14H2,1-2H3
InChIKeyUVVQOFOYTPWIND-UHFFFAOYSA-N
XLogP3.96
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42938687
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 154836359
(2R,3R)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116223
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55522948
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 55557469
(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119364932
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591
[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854350
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119396590

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 42934174) is (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3c3nnc4ccccn34)c12.
What is the InChIKey of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UVVQOFOYTPWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-16-22-18(15-19(17-9-4-3-5-10-17)26-24(22)30(2)29-16)25(33)31-14-8-11-20(31)23-28-27-21-12-6-7-13-32(21)23/h3-7,9-10,12-13,15,20H,8,11,14H2,1-2H3.
What are the key properties of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 437.51 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42934174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).