[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

C25H20N4O2 — CID 146515581

IUPAC[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1ccc3occc3c1)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C25H20N4O2/c1-28-24(18-5-7-23-17(14-18)9-12-31-23)20-8-11-29(15-22(20)27-28)25(30)19-4-6-21-16(13-19)3-2-10-26-21/h2-7,9-10,12-14H,8,11,15H2,1H3
InChIKeyKPMLEIABRHXSEX-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.58
Rot. Bonds2

About [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146515581) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID146515581
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1ccc3occc3c1)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C25H20N4O2/c1-28-24(18-5-7-23-17(14-18)9-12-31-23)20-8-11-29(15-22(20)27-28)25(30)19-4-6-21-16(13-19)3-2-10-26-21/h2-7,9-10,12-14H,8,11,15H2,1H3
InChIKeyKPMLEIABRHXSEX-UHFFFAOYSA-N
XLogP4.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146515581) is [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is Cn1nc2c(c1-c1ccc3occc3c1)CCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is KPMLEIABRHXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-28-24(18-5-7-23-17(14-18)9-12-31-23)20-8-11-29(15-22(20)27-28)25(30)19-4-6-21-16(13-19)3-2-10-26-21/h2-7,9-10,12-14H,8,11,15H2,1H3.
What are the key properties of [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 408.46 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146515581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).