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

C23H21Cl2N7O — CID 156805632

IUPAC6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)(c3ccccc3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C23H21Cl2N7O/c24-15-8-4-7-14(17(15)25)18-16-19(20(26)33)28-22(29-21(16)31-30-18)32-11-9-23(27,10-12-32)13-5-2-1-3-6-13/h1-8H,9-12,27H2,(H2,26,33)(H,28,29,30,31)
InChIKeyJOFWPFDYWGIUSU-UHFFFAOYSA-N
MW482.38 g/mol
LogP3.88
Rot. Bonds4

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

6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 156805632) has the molecular formula C23H21Cl2N7O and a molecular weight of 482.38 g/mol. Its IUPAC name is 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
PubChem CID156805632
Molecular FormulaC23H21Cl2N7O
Molecular Weight482.38 g/mol
Exact Mass481.12
IUPAC Name6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)(c3ccccc3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C23H21Cl2N7O/c24-15-8-4-7-14(17(15)25)18-16-19(20(26)33)28-22(29-21(16)31-30-18)32-11-9-23(27,10-12-32)13-5-2-1-3-6-13/h1-8H,9-12,27H2,(H2,26,33)(H,28,29,30,31)
InChIKeyJOFWPFDYWGIUSU-UHFFFAOYSA-N
XLogP3.88
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid
CID 156805716
6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805703
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805770
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-bromo-2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805650
[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate
CID 170319734
6-[4-amino-4-(6-chloro-3-pyridinyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805672
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640321
N-[6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]formamide
CID 166652863
6-[4-amino-4-(pyridin-4-ylmethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805669
3-(2-chlorophenyl)-6-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 68880248
6-(4-amino-4-phenylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 166070735
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
CID 149381861

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (CID 156805632) is 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(N)(c3ccccc3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The InChIKey is JOFWPFDYWGIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7O/c24-15-8-4-7-14(17(15)25)18-16-19(20(26)33)28-22(29-21(16)31-30-18)32-11-9-23(27,10-12-32)13-5-2-1-3-6-13/h1-8H,9-12,27H2,(H2,26,33)(H,28,29,30,31).
What are the key properties of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 156805632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).