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

C17H17Cl2N7O — CID 166660863

IUPAC6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C17H17Cl2N7O/c18-10-3-1-2-9(12(10)19)13-11-14(15(21)27)22-17(23-16(11)25-24-13)26-6-4-8(20)5-7-26/h1-3,8H,4-7,20H2,(H2,21,27)(H,22,23,24,25)
InChIKeyJPOQQJUWXUCRAO-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.35
Rot. Bonds3

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

6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 166660863) has the molecular formula C17H17Cl2N7O and a molecular weight of 406.28 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
PubChem CID166660863
Molecular FormulaC17H17Cl2N7O
Molecular Weight406.28 g/mol
Exact Mass405.09
IUPAC Name6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C17H17Cl2N7O/c18-10-3-1-2-9(12(10)19)13-11-14(15(21)27)22-17(23-16(11)25-24-13)26-6-4-8(20)5-7-26/h1-3,8H,4-7,20H2,(H2,21,27)(H,22,23,24,25)
InChIKeyJPOQQJUWXUCRAO-UHFFFAOYSA-N
XLogP2.35
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (CID 166660863) is 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(N)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The InChIKey is JPOQQJUWXUCRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N7O/c18-10-3-1-2-9(12(10)19)13-11-14(15(21)27)22-17(23-16(11)25-24-13)26-6-4-8(20)5-7-26/h1-3,8H,4-7,20H2,(H2,21,27)(H,22,23,24,25).
What are the key properties of 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166660863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).