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

C26H36N8O3 — CID 121409404

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

2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 121409404) has the molecular formula C26H36N8O3 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
• PubChem CID: 121409404
• Molecular Formula: C26H36N8O3
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.29
• IUPAC Name: 2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
• SMILES: COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CN(C)C)nc(OCC5CC5)n4)CC3)c12
• InChI: InChI=1S/C26H36N8O3/c1-16(14-33(2)3)28-25(35)19-13-21(30-26(29-19)37-15-17-5-6-17)34-11-8-18(9-12-34)23-22-20(36-4)7-10-27-24(22)32-31-23/h7,10,13,16-18H,5-6,8-9,11-12,14-15H2,1-4H3,(H,28,35)(H,27,31,32)/t16-/m1/s1
• InChIKey: UKBUOLLMFBYNFO-MRXNPFEDSA-N
• XLogP: 2.61
• TPSA: 121.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 121409404) is 2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

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

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

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

The InChIKey is UKBUOLLMFBYNFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H36N8O3/c1-16(14-33(2)3)28-25(35)19-13-21(30-26(29-19)37-15-17-5-6-17)34-11-8-18(9-12-34)23-22-20(36-4)7-10-27-24(22)32-31-23/h7,10,13,16-18H,5-6,8-9,11-12,14-15H2,1-4H3,(H,28,35)(H,27,31,32)/t16-/m1/s1.

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

2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).