6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide

C24H21Cl2N9O — CID 156805703

About 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide

6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 156805703) has the molecular formula C24H21Cl2N9O and a molecular weight of 522.40 g/mol. Its IUPAC name is 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
• PubChem CID: 156805703
• Molecular Formula: C24H21Cl2N9O
• Molecular Weight: 522.40 g/mol
• Exact Mass: 521.12
• IUPAC Name: 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
• SMILES: NC(=O)c1nc(N2CCC(N)(c3ccc4[nH]ncc4c3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
• InChI: InChI=1S/C24H21Cl2N9O/c25-15-3-1-2-14(18(15)26)19-17-20(21(27)36)30-23(31-22(17)34-33-19)35-8-6-24(28,7-9-35)13-4-5-16-12(10-13)11-29-32-16/h1-5,10-11H,6-9,28H2,(H2,27,36)(H,29,32)(H,30,31,33,34)
• InChIKey: XGDWUWNJPFAKNN-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 155.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.40
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?

The IUPAC name of 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) is 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(N)(c3ccc4[nH]ncc4c3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.

What is the InChIKey of 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?

The InChIKey is XGDWUWNJPFAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N9O/c25-15-3-1-2-14(18(15)26)19-17-20(21(27)36)30-23(31-22(17)34-33-19)35-8-6-24(28,7-9-35)13-4-5-16-12(10-13)11-29-32-16/h1-5,10-11H,6-9,28H2,(H2,27,36)(H,29,32)(H,30,31,33,34).

What are the key properties of 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide?

6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 522.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 156805703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).