3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol

C21H25N7O2 — CID 178022449

IUPAC3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol
SMILESCCn1nc(Nc2c(C)ccc(O)c2C)c2cnc(Nc3ccnn3CCO)cc21
InChIInChI=1S/C21H25N7O2/c1-4-27-16-11-18(24-19-7-8-23-28(19)9-10-29)22-12-15(16)21(26-27)25-20-13(2)5-6-17(30)14(20)3/h5-8,11-12,29-30H,4,9-10H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyIRBDTXCLKKXKFD-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.45
Rot. Bonds7

About 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol

3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol (PubChem CID 178022449) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol
PubChem CID178022449
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol
SMILESCCn1nc(Nc2c(C)ccc(O)c2C)c2cnc(Nc3ccnn3CCO)cc21
InChIInChI=1S/C21H25N7O2/c1-4-27-16-11-18(24-19-7-8-23-28(19)9-10-29)22-12-15(16)21(26-27)25-20-13(2)5-6-17(30)14(20)3/h5-8,11-12,29-30H,4,9-10H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyIRBDTXCLKKXKFD-UHFFFAOYSA-N
XLogP3.45
TPSA113.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol?
The IUPAC name of 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol (CID 178022449) is 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol.
What is the SMILES notation for 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol?
The canonical SMILES for 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol is CCn1nc(Nc2c(C)ccc(O)c2C)c2cnc(Nc3ccnn3CCO)cc21.
What is the InChIKey of 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol?
The InChIKey is IRBDTXCLKKXKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-4-27-16-11-18(24-19-7-8-23-28(19)9-10-29)22-12-15(16)21(26-27)25-20-13(2)5-6-17(30)14(20)3/h5-8,11-12,29-30H,4,9-10H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol?
3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol has a molecular weight of 407.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol is sourced from PubChem (CID 178022449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).