7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one

C21H14ClN5O — CID 172525205

IUPAC7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1c2nn(Cc3cccnc3)cc2c2ccc(Cl)cc2n1-c1cccnc1
InChIInChI=1S/C21H14ClN5O/c22-15-5-6-17-18-13-26(12-14-3-1-7-23-10-14)25-20(18)21(28)27(19(17)9-15)16-4-2-8-24-11-16/h1-11,13H,12H2
InChIKeyJAKVPNLSYJXVEO-UHFFFAOYSA-N
MW387.83 g/mol
LogP3.83
Rot. Bonds3

About 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one

7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525205) has the molecular formula C21H14ClN5O and a molecular weight of 387.83 g/mol. Its IUPAC name is 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
PubChem CID172525205
Molecular FormulaC21H14ClN5O
Molecular Weight387.83 g/mol
Exact Mass387.09
IUPAC Name7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1c2nn(Cc3cccnc3)cc2c2ccc(Cl)cc2n1-c1cccnc1
InChIInChI=1S/C21H14ClN5O/c22-15-5-6-17-18-13-26(12-14-3-1-7-23-10-14)25-20(18)21(28)27(19(17)9-15)16-4-2-8-24-11-16/h1-11,13H,12H2
InChIKeyJAKVPNLSYJXVEO-UHFFFAOYSA-N
XLogP3.83
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525252
7-chloro-2-ethyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525162
3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one
CID 170551427
6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
CID 83805249
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
CID 171514511
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 141070390
2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46135084
(3S)-3-(4-chlorophenyl)sulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 6922426
2-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3843485
(3Z)-3-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-6-chloro-1H-indol-2-one
CID 2161039
7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one
CID 159799112
6-amino-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
CID 19805498

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one (CID 172525205) is 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one is O=c1c2nn(Cc3cccnc3)cc2c2ccc(Cl)cc2n1-c1cccnc1.
What is the InChIKey of 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is JAKVPNLSYJXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O/c22-15-5-6-17-18-13-26(12-14-3-1-7-23-10-14)25-20(18)21(28)27(19(17)9-15)16-4-2-8-24-11-16/h1-11,13H,12H2.
What are the key properties of 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one?
7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 387.83 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).