N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide

C26H30N8O4 — CID 121409851

About N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide (PubChem CID 121409851) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide
• PubChem CID: 121409851
• Molecular Formula: C26H30N8O4
• Molecular Weight: 518.58 g/mol
• Exact Mass: 518.24
• IUPAC Name: N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide
• SMILES: COc1ccnc2n[nH]c(C3CCN(c4nc(OCc5ccccc5)nc(C(=O)N[C@H](C)CO)n4)CC3)c12
• InChI: InChI=1S/C26H30N8O4/c1-16(14-35)28-24(36)23-29-25(31-26(30-23)38-15-17-6-4-3-5-7-17)34-12-9-18(10-13-34)21-20-19(37-2)8-11-27-22(20)33-32-21/h3-8,11,16,18,35H,9-10,12-15H2,1-2H3,(H,28,36)(H,27,32,33)/t16-/m1/s1
• InChIKey: NEYIGOJPNNMIOU-MRXNPFEDSA-N
• XLogP: 2.23
• TPSA: 151.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.58
LogP ≤ 5	2.23
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]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide?

The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide (CID 121409851) is N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide?

The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide is COc1ccnc2n[nH]c(C3CCN(c4nc(OCc5ccccc5)nc(C(=O)N[C@H](C)CO)n4)CC3)c12.

What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide?

The InChIKey is NEYIGOJPNNMIOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-16(14-35)28-24(36)23-29-25(31-26(30-23)38-15-17-6-4-3-5-7-17)34-12-9-18(10-13-34)21-20-19(37-2)8-11-27-22(20)33-32-21/h3-8,11,16,18,35H,9-10,12-15H2,1-2H3,(H,28,36)(H,27,32,33)/t16-/m1/s1.

What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide?

N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 2.23, 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]-4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-6-phenylmethoxy-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).