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

C23H25N7O — CID 138692752

IUPAC3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nc2cccc(-c3cc(NCc4cnn(C)c4)c4c(n3)c(C)nn4C(C)C)c2o1
InChIInChI=1S/C23H25N7O/c1-13(2)30-22-20(24-10-16-11-25-29(5)12-16)9-19(27-21(22)14(3)28-30)17-7-6-8-18-23(17)31-15(4)26-18/h6-9,11-13H,10H2,1-5H3,(H,24,27)
InChIKeyRZUPDLGZAIZBKU-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.78
Rot. Bonds5

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

3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692752) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692752
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nc2cccc(-c3cc(NCc4cnn(C)c4)c4c(n3)c(C)nn4C(C)C)c2o1
InChIInChI=1S/C23H25N7O/c1-13(2)30-22-20(24-10-16-11-25-29(5)12-16)9-19(27-21(22)14(3)28-30)17-7-6-8-18-23(17)31-15(4)26-18/h6-9,11-13H,10H2,1-5H3,(H,24,27)
InChIKeyRZUPDLGZAIZBKU-UHFFFAOYSA-N
XLogP4.78
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692752) is 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is Cc1nc2cccc(-c3cc(NCc4cnn(C)c4)c4c(n3)c(C)nn4C(C)C)c2o1.
What is the InChIKey of 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is RZUPDLGZAIZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-13(2)30-22-20(24-10-16-11-25-29(5)12-16)9-19(27-21(22)14(3)28-30)17-7-6-8-18-23(17)31-15(4)26-18/h6-9,11-13H,10H2,1-5H3,(H,24,27).
What are the key properties of 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 415.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyl-1,3-benzoxazol-7-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).