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

C24H18F2N4O3 — CID 146515642

IUPAC[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1cccc3c1OC(F)(F)O3)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C24H18F2N4O3/c1-29-21(17-5-2-6-20-22(17)33-24(25,26)32-20)16-9-11-30(13-19(16)28-29)23(31)15-7-8-18-14(12-15)4-3-10-27-18/h2-8,10,12H,9,11,13H2,1H3
InChIKeyAKCRQJBLRMNNOI-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.16
Rot. Bonds2

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

[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146515642) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID146515642
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC Name[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1cccc3c1OC(F)(F)O3)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C24H18F2N4O3/c1-29-21(17-5-2-6-20-22(17)33-24(25,26)32-20)16-9-11-30(13-19(16)28-29)23(31)15-7-8-18-14(12-15)4-3-10-27-18/h2-8,10,12H,9,11,13H2,1H3
InChIKeyAKCRQJBLRMNNOI-UHFFFAOYSA-N
XLogP4.16
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146515642) is [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is Cn1nc2c(c1-c1cccc3c1OC(F)(F)O3)CCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is AKCRQJBLRMNNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c1-29-21(17-5-2-6-20-22(17)33-24(25,26)32-20)16-9-11-30(13-19(16)28-29)23(31)15-7-8-18-14(12-15)4-3-10-27-18/h2-8,10,12H,9,11,13H2,1H3.
What are the key properties of [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 448.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146515642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).