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

C28H38N8O3 — CID 121409319

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

2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 121409319) has the molecular formula C28H38N8O3 and a molecular weight of 534.67 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide
• PubChem CID: 121409319
• Molecular Formula: C28H38N8O3
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.31
• IUPAC Name: 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide
• SMILES: COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CN5CCCC5)nc(OCC5CC5)n4)CC3)c12
• InChI: InChI=1S/C28H38N8O3/c1-18(16-35-11-3-4-12-35)30-27(37)21-15-23(32-28(31-21)39-17-19-5-6-19)36-13-8-20(9-14-36)25-24-22(38-2)7-10-29-26(24)34-33-25/h7,10,15,18-20H,3-6,8-9,11-14,16-17H2,1-2H3,(H,30,37)(H,29,33,34)/t18-/m1/s1
• InChIKey: WSFOTPFCUIUHHE-GOSISDBHSA-N
• XLogP: 3.14
• TPSA: 121.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide (CID 121409319) is 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide.

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

The canonical SMILES for 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide is COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CN5CCCC5)nc(OCC5CC5)n4)CC3)c12.

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

The InChIKey is WSFOTPFCUIUHHE-GOSISDBHSA-N. The full InChI is InChI=1S/C28H38N8O3/c1-18(16-35-11-3-4-12-35)30-27(37)21-15-23(32-28(31-21)39-17-19-5-6-19)36-13-8-20(9-14-36)25-24-22(38-2)7-10-29-26(24)34-33-25/h7,10,15,18-20H,3-6,8-9,11-14,16-17H2,1-2H3,(H,30,37)(H,29,33,34)/t18-/m1/s1.

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

2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 534.67 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethoxy)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).