5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C22H23N7O — CID 138692663

IUPAC5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nn(C(C)C)c2c(NCc3cnn(C)c3)cc(-c3cccc4ncoc34)nc12
InChIInChI=1S/C22H23N7O/c1-13(2)29-21-19(23-9-15-10-25-28(4)11-15)8-18(26-20(21)14(3)27-29)16-6-5-7-17-22(16)30-12-24-17/h5-8,10-13H,9H2,1-4H3,(H,23,26)
InChIKeyBHFKZPHEMFPTRO-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.47
Rot. Bonds5

About 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692663) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692663
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nn(C(C)C)c2c(NCc3cnn(C)c3)cc(-c3cccc4ncoc34)nc12
InChIInChI=1S/C22H23N7O/c1-13(2)29-21-19(23-9-15-10-25-28(4)11-15)8-18(26-20(21)14(3)27-29)16-6-5-7-17-22(16)30-12-24-17/h5-8,10-13H,9H2,1-4H3,(H,23,26)
InChIKeyBHFKZPHEMFPTRO-UHFFFAOYSA-N
XLogP4.47
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692663) is 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is Cc1nn(C(C)C)c2c(NCc3cnn(C)c3)cc(-c3cccc4ncoc34)nc12.
What is the InChIKey of 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is BHFKZPHEMFPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-13(2)29-21-19(23-9-15-10-25-28(4)11-15)8-18(26-20(21)14(3)27-29)16-6-5-7-17-22(16)30-12-24-17/h5-8,10-13H,9H2,1-4H3,(H,23,26).
What are the key properties of 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 401.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).