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

C24H25N7O2 — CID 138692682

IUPACN-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cccc3ocnc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H25N7O2/c1-5-32-24-17(9-10-27-29-24)18-11-19(23-21(28-18)15(4)30-31(23)14(2)3)25-12-16-7-6-8-20-22(16)26-13-33-20/h6-11,13-14H,5,12H2,1-4H3,(H,25,28)
InChIKeyQDTGSDIZPRKYIY-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.93
Rot. Bonds7

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

N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692682) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692682
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cccc3ocnc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H25N7O2/c1-5-32-24-17(9-10-27-29-24)18-11-19(23-21(28-18)15(4)30-31(23)14(2)3)25-12-16-7-6-8-20-22(16)26-13-33-20/h6-11,13-14H,5,12H2,1-4H3,(H,25,28)
InChIKeyQDTGSDIZPRKYIY-UHFFFAOYSA-N
XLogP4.93
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692682) is N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1nnccc1-c1cc(NCc2cccc3ocnc23)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is QDTGSDIZPRKYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-5-32-24-17(9-10-27-29-24)18-11-19(23-21(28-18)15(4)30-31(23)14(2)3)25-12-16-7-6-8-20-22(16)26-13-33-20/h6-11,13-14H,5,12H2,1-4H3,(H,25,28).
What are the key properties of N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 443.51 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-4-ylmethyl)-5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).