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

C23H18ClFN4O — CID 146515767

IUPAC[3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1ccc(F)cc1Cl)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C23H18ClFN4O/c1-28-22(17-6-5-16(25)12-19(17)24)18-8-10-29(13-21(18)27-28)23(30)15-4-7-20-14(11-15)3-2-9-26-20/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyUGZIVNRHRYLUIP-UHFFFAOYSA-N
MW420.88 g/mol
LogP4.63
Rot. Bonds2

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

[3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146515767) has the molecular formula C23H18ClFN4O and a molecular weight of 420.88 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID146515767
Molecular FormulaC23H18ClFN4O
Molecular Weight420.88 g/mol
Exact Mass420.12
IUPAC Name[3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1ccc(F)cc1Cl)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C23H18ClFN4O/c1-28-22(17-6-5-16(25)12-19(17)24)18-8-10-29(13-21(18)27-28)23(30)15-4-7-20-14(11-15)3-2-9-26-20/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyUGZIVNRHRYLUIP-UHFFFAOYSA-N
XLogP4.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146515767) is [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is Cn1nc2c(c1-c1ccc(F)cc1Cl)CCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is UGZIVNRHRYLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O/c1-28-22(17-6-5-16(25)12-19(17)24)18-8-10-29(13-21(18)27-28)23(30)15-4-7-20-14(11-15)3-2-9-26-20/h2-7,9,11-12H,8,10,13H2,1H3.
What are the key properties of [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
[3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 420.88 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4-fluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146515767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).