6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol

C21H21F2N5O3 — CID 137138482

IUPAC6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4cnn(C(C)(C)C)c4)cc3n2)cnc1OC(F)F
InChIInChI=1S/C21H21F2N5O3/c1-21(2,3)28-10-13(9-25-28)27-11-16-14(19(27)29)5-6-15(26-16)12-7-17(30-4)18(24-8-12)31-20(22)23/h5-11,20,29H,1-4H3
InChIKeyUCHWPDLTRVPXBF-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.35
Rot. Bonds5

About 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol

6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137138482) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137138482
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4cnn(C(C)(C)C)c4)cc3n2)cnc1OC(F)F
InChIInChI=1S/C21H21F2N5O3/c1-21(2,3)28-10-13(9-25-28)27-11-16-14(19(27)29)5-6-15(26-16)12-7-17(30-4)18(24-8-12)31-20(22)23/h5-11,20,29H,1-4H3
InChIKeyUCHWPDLTRVPXBF-UHFFFAOYSA-N
XLogP4.35
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-tert-butylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]pyridin-5-ol
CID 137133707
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(5-methylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137167251
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137128343
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137079102
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137095258
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137117830
5-[2-(5,6-dimethoxy-3-pyridinyl)-5-hydroxypyrrolo[3,4-b]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 137148201
2-[[5-[2-(5,6-dimethoxy-3-pyridinyl)-5-hydroxypyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]oxy]acetonitrile
CID 137058860
2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137117667
2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137028967
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137147847

Frequently Asked Questions

What is the IUPAC name of 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137138482) is 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4cnn(C(C)(C)C)c4)cc3n2)cnc1OC(F)F.
What is the InChIKey of 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is UCHWPDLTRVPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-21(2,3)28-10-13(9-25-28)27-11-16-14(19(27)29)5-6-15(26-16)12-7-17(30-4)18(24-8-12)31-20(22)23/h5-11,20,29H,1-4H3.
What are the key properties of 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 429.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-tert-butylpyrazol-4-yl)-2-[6-(difluoromethoxy)-5-methoxy-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137138482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).