(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

C22H25N7O — CID 42938687

IUPAC(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
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCC3c3nnc4ccccn34)c12
InChIInChI=1S/C22H25N7O/c1-13(2)16-12-15(19-14(3)26-27(4)21(19)23-16)22(30)28-11-7-8-17(28)20-25-24-18-9-5-6-10-29(18)20/h5-6,9-10,12-13,17H,7-8,11H2,1-4H3
InChIKeyJTQQBYONMUEUTC-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.42
Rot. Bonds3

About (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

(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 (PubChem CID 42938687) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID42938687
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(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
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCC3c3nnc4ccccn34)c12
InChIInChI=1S/C22H25N7O/c1-13(2)16-12-15(19-14(3)26-27(4)21(19)23-16)22(30)28-11-7-8-17(28)20-25-24-18-9-5-6-10-29(18)20/h5-6,9-10,12-13,17H,7-8,11H2,1-4H3
InChIKeyJTQQBYONMUEUTC-UHFFFAOYSA-N
XLogP3.42
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
(3-methoxy-4-propan-2-yloxyphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51925753
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42944454
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 46514691
(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46472400
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95309286
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46637490
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 42924146

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCC3c3nnc4ccccn34)c12.
What is the InChIKey of (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?
The InChIKey is JTQQBYONMUEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-13(2)16-12-15(19-14(3)26-27(4)21(19)23-16)22(30)28-11-7-8-17(28)20-25-24-18-9-5-6-10-29(18)20/h5-6,9-10,12-13,17H,7-8,11H2,1-4H3.
What are the key properties of (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?
(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 has a molecular weight of 403.49 g/mol, XLogP of 3.42, 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-propan-2-ylpyrazolo[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 42938687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).