1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile

C25H25N5O2 — CID 44581363

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCNCC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-27-16-25(12-13-25)17-3-5-18(6-4-17)29-14-11-21-22(15-26)28-30(23(21)24(29)31)19-7-9-20(32-2)10-8-19/h3-10,27H,11-14,16H2,1-2H3
InChIKeyBDUIPRZETCZQER-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.21
Rot. Bonds6

About 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile

1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 44581363) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID44581363
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCNCC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-27-16-25(12-13-25)17-3-5-18(6-4-17)29-14-11-21-22(15-26)28-30(23(21)24(29)31)19-7-9-20(32-2)10-8-19/h3-10,27H,11-14,16H2,1-2H3
InChIKeyBDUIPRZETCZQER-UHFFFAOYSA-N
XLogP3.21
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (CID 44581363) is 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is CNCC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is BDUIPRZETCZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-27-16-25(12-13-25)17-3-5-18(6-4-17)29-14-11-21-22(15-26)28-30(23(21)24(29)31)19-7-9-20(32-2)10-8-19/h3-10,27H,11-14,16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 44581363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).