1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile

C19H14ClN5O — CID 155129250

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile
SMILESCOCc1nn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12
InChIInChI=1S/C19H14ClN5O/c1-26-11-17-19-14(6-21)7-22-9-18(19)25(24-17)10-12-2-3-16-13(4-12)5-15(20)8-23-16/h2-5,7-9H,10-11H2,1H3
InChIKeySYPZLVNHCFQUTC-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.70
Rot. Bonds4

About 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile

1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile (PubChem CID 155129250) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile
PubChem CID155129250
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile
SMILESCOCc1nn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12
InChIInChI=1S/C19H14ClN5O/c1-26-11-17-19-14(6-21)7-22-9-18(19)25(24-17)10-12-2-3-16-13(4-12)5-15(20)8-23-16/h2-5,7-9H,10-11H2,1H3
InChIKeySYPZLVNHCFQUTC-UHFFFAOYSA-N
XLogP3.70
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrazolo[4,3-c]pyridine-4-carbonitrile
CID 134178586
1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethoxymethyl)pyrrolo[2,3-c]pyridine-5-carbonitrile
CID 155129255
1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide
CID 135354866
1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 134178700
methyl 5-bromo-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 134177944
3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158510264
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 135354732
1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide
CID 135354581
1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile
CID 134178374
2-methoxyethyl 7-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 138658683

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile (CID 155129250) is 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile is COCc1nn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile?
The InChIKey is SYPZLVNHCFQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-26-11-17-19-14(6-21)7-22-9-18(19)25(24-17)10-12-2-3-16-13(4-12)5-15(20)8-23-16/h2-5,7-9H,10-11H2,1H3.
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile?
1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile has a molecular weight of 363.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile is sourced from PubChem (CID 155129250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).