N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide

C62H66N18O6 — CID 157120482

About N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide

N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 157120482) has the molecular formula C62H66N18O6 and a molecular weight of 1159.33 g/mol. Its IUPAC name is N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157120482
• Molecular Formula: C62H66N18O6
• Molecular Weight: 1159.33 g/mol
• Exact Mass: 1158.54
• IUPAC Name: N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cc(-c2nn(C3CCN(C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cccnc2n1C.COc1cc(-c2nn(C3CCN(Cc4ccoc4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ncccc2n1C
• InChI: InChI=1S/C31H35N9O3.C31H31N9O3/c1-38-24(16-20-4-3-11-33-29(20)38)31(41)36-23-6-5-19(17-25(23)42-2)27-26-28(32)34-18-35-30(26)40(37-27)22-7-12-39(13-8-22)21-9-14-43-15-10-21;1-38-24-4-3-10-33-23(24)15-25(38)31(41)36-22-6-5-20(14-26(22)42-2)28-27-29(32)34-18-35-30(27)40(37-28)21-7-11-39(12-8-21)16-19-9-13-43-17-19/h3-6,11,16-18,21-22H,7-10,12-15H2,1-2H3,(H,36,41)(H2,32,34,35);3-6,9-10,13-15,17-18,21H,7-8,11-12,16H2,1-2H3,(H,36,41)(H2,32,34,35)
• InChIKey: AHXIAAQZFQEOFD-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 280.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.33
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide (CID 157120482) is N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide is COc1cc(-c2nn(C3CCN(C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cccnc2n1C.COc1cc(-c2nn(C3CCN(Cc4ccoc4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ncccc2n1C.

What is the InChIKey of N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is AHXIAAQZFQEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N9O3.C31H31N9O3/c1-38-24(16-20-4-3-11-33-29(20)38)31(41)36-23-6-5-19(17-25(23)42-2)27-26-28(32)34-18-35-30(26)40(37-27)22-7-12-39(13-8-22)21-9-14-43-15-10-21;1-38-24-4-3-10-33-23(24)15-25(38)31(41)36-22-6-5-20(14-26(22)42-2)28-27-29(32)34-18-35-30(27)40(37-28)21-7-11-39(12-8-21)16-19-9-13-43-17-19/h3-6,11,16-18,21-22H,7-10,12-15H2,1-2H3,(H,36,41)(H2,32,34,35);3-6,9-10,13-15,17-18,21H,7-8,11-12,16H2,1-2H3,(H,36,41)(H2,32,34,35).

What are the key properties of N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?

N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 1159.33 g/mol, XLogP of 8.69, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157120482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).