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

C26H28N6O2 — CID 138692691

IUPAC5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccc3oc(C)nc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C26H28N6O2/c1-6-33-26-19(10-8-12-27-26)20-13-21(25-23(30-20)16(4)31-32(25)15(2)3)28-14-18-9-7-11-22-24(18)29-17(5)34-22/h7-13,15H,6,14H2,1-5H3,(H,28,30)
InChIKeyUSWMJZZZYCJYJT-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.84
Rot. Bonds7

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

5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692691) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692691
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccc3oc(C)nc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C26H28N6O2/c1-6-33-26-19(10-8-12-27-26)20-13-21(25-23(30-20)16(4)31-32(25)15(2)3)28-14-18-9-7-11-22-24(18)29-17(5)34-22/h7-13,15H,6,14H2,1-5H3,(H,28,30)
InChIKeyUSWMJZZZYCJYJT-UHFFFAOYSA-N
XLogP5.84
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692691) is 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2cccc3oc(C)nc23)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is USWMJZZZYCJYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-6-33-26-19(10-8-12-27-26)20-13-21(25-23(30-20)16(4)31-32(25)15(2)3)28-14-18-9-7-11-22-24(18)29-17(5)34-22/h7-13,15H,6,14H2,1-5H3,(H,28,30).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 456.55 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).