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

C24H23N5O2 — CID 44581750

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCNC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C24H23N5O2/c1-26-24(12-13-24)16-3-5-17(6-4-16)28-14-11-20-21(15-25)27-29(22(20)23(28)30)18-7-9-19(31-2)10-8-18/h3-10,26H,11-14H2,1-2H3
InChIKeyBBECZZOXFHVVRP-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.16
Rot. Bonds5

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

1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 44581750) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID44581750
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCNC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C24H23N5O2/c1-26-24(12-13-24)16-3-5-17(6-4-16)28-14-11-20-21(15-25)27-29(22(20)23(28)30)18-7-9-19(31-2)10-8-18/h3-10,26H,11-14H2,1-2H3
InChIKeyBBECZZOXFHVVRP-UHFFFAOYSA-N
XLogP3.16
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.16
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-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (CID 44581750) is 1-(4-methoxyphenyl)-6-[4-[1-(methylamino)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-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is CNC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is BBECZZOXFHVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-26-24(12-13-24)16-3-5-17(6-4-16)28-14-11-20-21(15-25)27-29(22(20)23(28)30)18-7-9-19(31-2)10-8-18/h3-10,26H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
1-(4-methoxyphenyl)-6-[4-[1-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile has a molecular weight of 413.48 g/mol, XLogP of 3.16, 5 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-(methylamino)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 44581750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).