3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide

C25H23N7O2 — CID 67501043

IUPAC3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
SMILESCOc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21
InChIInChI=1S/C25H23N7O2/c1-15(2)23-22-20(31-13-18(29-14-31)17-5-4-9-27-12-17)8-10-28-25(22)32(30-23)19-7-6-16(24(26)33)11-21(19)34-3/h4-15H,1-3H3,(H2,26,33)
InChIKeyDDGSMHLGJBZJTF-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.90
Rot. Bonds6

About 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide

3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide (PubChem CID 67501043) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
PubChem CID67501043
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
SMILESCOc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21
InChIInChI=1S/C25H23N7O2/c1-15(2)23-22-20(31-13-18(29-14-31)17-5-4-9-27-12-17)8-10-28-25(22)32(30-23)19-7-6-16(24(26)33)11-21(19)34-3/h4-15H,1-3H3,(H2,26,33)
InChIKeyDDGSMHLGJBZJTF-UHFFFAOYSA-N
XLogP3.90
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
The IUPAC name of 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide (CID 67501043) is 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
The canonical SMILES for 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide is COc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21.
What is the InChIKey of 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
The InChIKey is DDGSMHLGJBZJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15(2)23-22-20(31-13-18(29-14-31)17-5-4-9-27-12-17)8-10-28-25(22)32(30-23)19-7-6-16(24(26)33)11-21(19)34-3/h4-15H,1-3H3,(H2,26,33).
What are the key properties of 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide has a molecular weight of 453.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 67501043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).