6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile

C20H19Cl2N7 — CID 156805641

IUPAC6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N2CCC(N)(C3CC3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C20H19Cl2N7/c21-13-3-1-2-12(16(13)22)17-15-14(10-23)25-19(26-18(15)28-27-17)29-8-6-20(24,7-9-29)11-4-5-11/h1-3,11H,4-9,24H2,(H,25,26,27,28)
InChIKeyOXCSBZDNAYHFMI-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.91
Rot. Bonds3

About 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile

6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (PubChem CID 156805641) has the molecular formula C20H19Cl2N7 and a molecular weight of 428.33 g/mol. Its IUPAC name is 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
PubChem CID156805641
Molecular FormulaC20H19Cl2N7
Molecular Weight428.33 g/mol
Exact Mass427.11
IUPAC Name6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N2CCC(N)(C3CC3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C20H19Cl2N7/c21-13-3-1-2-12(16(13)22)17-15-14(10-23)25-19(26-18(15)28-27-17)29-8-6-20(24,7-9-29)11-4-5-11/h1-3,11H,4-9,24H2,(H,25,26,27,28)
InChIKeyOXCSBZDNAYHFMI-UHFFFAOYSA-N
XLogP3.91
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile with MolForge

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Related Compounds

1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-Tert-butyl-3-[(2,3-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864846
US10954243, Example 15
CID 153211342
3-[4-Chloro-3-(trifluoromethyl)phenyl]-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 129012190
3-(3-chlorophenyl)-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530625
3-(3-chlorophenyl)-4-(3,3-difluorocyclobutyl)-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 134137686
3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 134141244
6-(3-chlorophenyl)-3,4-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 134141319
3-(3-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 134144969
3-(3-chlorophenyl)-4-(3,3-difluorocyclobutyl)-6-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 134151206
3-(3-chloro-4-fluorophenyl)-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 134151933
US10280171, Example 58
CID 132176113

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The IUPAC name of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (CID 156805641) is 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is N#Cc1nc(N2CCC(N)(C3CC3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The InChIKey is OXCSBZDNAYHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7/c21-13-3-1-2-12(16(13)22)17-15-14(10-23)25-19(26-18(15)28-27-17)29-8-6-20(24,7-9-29)11-4-5-11/h1-3,11H,4-9,24H2,(H,25,26,27,28).
What are the key properties of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile has a molecular weight of 428.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 156805641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).