N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide

C25H33N7O5 — CID 121409045

About N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (PubChem CID 121409045) has the molecular formula C25H33N7O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
• PubChem CID: 121409045
• Molecular Formula: C25H33N7O5
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.25
• IUPAC Name: N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
• SMILES: COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OC[C@H]5CCCO5)n4)CC3)c12
• InChI: InChI=1S/C25H33N7O5/c1-15(13-33)27-24(34)18-12-20(29-25(28-18)37-14-17-4-3-11-36-17)32-9-6-16(7-10-32)22-21-19(35-2)5-8-26-23(21)31-30-22/h5,8,12,15-17,33H,3-4,6-7,9-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,17-/m1/s1
• InChIKey: IJPHSEMRXVQYAT-NVXWUHKLSA-N
• XLogP: 1.81
• TPSA: 147.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?

The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (CID 121409045) is N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide.

What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?

The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OC[C@H]5CCCO5)n4)CC3)c12.

What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?

The InChIKey is IJPHSEMRXVQYAT-NVXWUHKLSA-N. The full InChI is InChI=1S/C25H33N7O5/c1-15(13-33)27-24(34)18-12-20(29-25(28-18)37-14-17-4-3-11-36-17)32-9-6-16(7-10-32)22-21-19(35-2)5-8-26-23(21)31-30-22/h5,8,12,15-17,33H,3-4,6-7,9-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,17-/m1/s1.

What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?

N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).