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

C22H20Cl2N8O — CID 156805625

IUPAC6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)(c3ccccn3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C22H20Cl2N8O/c23-13-5-3-4-12(16(13)24)17-15-18(19(25)33)28-21(29-20(15)31-30-17)32-10-7-22(26,8-11-32)14-6-1-2-9-27-14/h1-6,9H,7-8,10-11,26H2,(H2,25,33)(H,28,29,30,31)
InChIKeyRMLGNRPEZXNVKC-UHFFFAOYSA-N
MW483.36 g/mol
LogP3.28
Rot. Bonds4

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

6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 156805625) has the molecular formula C22H20Cl2N8O and a molecular weight of 483.36 g/mol. Its IUPAC name is 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
PubChem CID156805625
Molecular FormulaC22H20Cl2N8O
Molecular Weight483.36 g/mol
Exact Mass482.11
IUPAC Name6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)(c3ccccn3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C22H20Cl2N8O/c23-13-5-3-4-12(16(13)24)17-15-18(19(25)33)28-21(29-20(15)31-30-17)32-10-7-22(26,8-11-32)14-6-1-2-9-27-14/h1-6,9H,7-8,10-11,26H2,(H2,25,33)(H,28,29,30,31)
InChIKeyRMLGNRPEZXNVKC-UHFFFAOYSA-N
XLogP3.28
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 53.28
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-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (CID 156805625) is 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(N)(c3ccccn3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The InChIKey is RMLGNRPEZXNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N8O/c23-13-5-3-4-12(16(13)24)17-15-18(19(25)33)28-21(29-20(15)31-30-17)32-10-7-22(26,8-11-32)14-6-1-2-9-27-14/h1-6,9H,7-8,10-11,26H2,(H2,25,33)(H,28,29,30,31).
What are the key properties of 6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?
6-(4-amino-4-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 483.36 g/mol, XLogP of 3.28, 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-pyridin-2-ylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 156805625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).