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

C23H23ClN8O — CID 169491362

IUPAC6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESCc1nccc(-c2[nH]nc3nc(N4CCC(N)(c5ccccc5)CC4)nc(C(N)=O)c23)c1Cl
InChIInChI=1S/C23H23ClN8O/c1-13-17(24)15(7-10-27-13)18-16-19(20(25)33)28-22(29-21(16)31-30-18)32-11-8-23(26,9-12-32)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12,26H2,1H3,(H2,25,33)(H,28,29,30,31)
InChIKeyXLVKEXXQUUZYQZ-UHFFFAOYSA-N
MW462.95 g/mol
LogP2.93
Rot. Bonds4

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

6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 169491362) has the molecular formula C23H23ClN8O and a molecular weight of 462.95 g/mol. Its IUPAC name is 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
PubChem CID169491362
Molecular FormulaC23H23ClN8O
Molecular Weight462.95 g/mol
Exact Mass462.17
IUPAC Name6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESCc1nccc(-c2[nH]nc3nc(N4CCC(N)(c5ccccc5)CC4)nc(C(N)=O)c23)c1Cl
InChIInChI=1S/C23H23ClN8O/c1-13-17(24)15(7-10-27-13)18-16-19(20(25)33)28-22(29-21(16)31-30-18)32-11-8-23(26,9-12-32)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12,26H2,1H3,(H2,25,33)(H,28,29,30,31)
InChIKeyXLVKEXXQUUZYQZ-UHFFFAOYSA-N
XLogP2.93
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (CID 169491362) is 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is Cc1nccc(-c2[nH]nc3nc(N4CCC(N)(c5ccccc5)CC4)nc(C(N)=O)c23)c1Cl.
What is the InChIKey of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The InChIKey is XLVKEXXQUUZYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O/c1-13-17(24)15(7-10-27-13)18-16-19(20(25)33)28-22(29-21(16)31-30-18)32-11-8-23(26,9-12-32)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12,26H2,1H3,(H2,25,33)(H,28,29,30,31).
What are the key properties of 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 462.95 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-phenylpiperidin-1-yl)-3-(3-chloro-2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 169491362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).