4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile

C26H18N6O2 — CID 56591634

IUPAC4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C26H18N6O2/c1-32-22-14-30-21-11-23(33-2)24(34-15-17-7-8-29-19(9-17)13-28)10-20(21)25(22)26(31-32)18-5-3-16(12-27)4-6-18/h3-11,14H,15H2,1-2H3
InChIKeyQZIAZSMUZRKVOA-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.51
Rot. Bonds5

About 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile

4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile (PubChem CID 56591634) has the molecular formula C26H18N6O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile
PubChem CID56591634
Molecular FormulaC26H18N6O2
Molecular Weight446.47 g/mol
Exact Mass446.15
IUPAC Name4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C26H18N6O2/c1-32-22-14-30-21-11-23(33-2)24(34-15-17-7-8-29-19(9-17)13-28)10-20(21)25(22)26(31-32)18-5-3-16(12-27)4-6-18/h3-11,14H,15H2,1-2H3
InChIKeyQZIAZSMUZRKVOA-UHFFFAOYSA-N
XLogP4.51
TPSA109.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile (CID 56591634) is 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile?
The InChIKey is QZIAZSMUZRKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O2/c1-32-22-14-30-21-11-23(33-2)24(34-15-17-7-8-29-19(9-17)13-28)10-20(21)25(22)26(31-32)18-5-3-16(12-27)4-6-18/h3-11,14H,15H2,1-2H3.
What are the key properties of 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile?
4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile has a molecular weight of 446.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 56591634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).