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

C26H34N6O5 — CID 121409160

About N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-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-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (PubChem CID 121409160) has the molecular formula C26H34N6O5 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-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-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
• PubChem CID: 121409160
• Molecular Formula: C26H34N6O5
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.26
• IUPAC Name: N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
• SMILES: COc1ccnc2[nH]cc(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OC[C@H]5CCCO5)n4)CC3)c12
• InChI: InChI=1S/C26H34N6O5/c1-16(14-33)29-25(34)20-12-22(31-26(30-20)37-15-18-4-3-11-36-18)32-9-6-17(7-10-32)19-13-28-24-23(19)21(35-2)5-8-27-24/h5,8,12-13,16-18,33H,3-4,6-7,9-11,14-15H2,1-2H3,(H,27,28)(H,29,34)/t16-,18-/m1/s1
• InChIKey: JTBSWSXGJXOQTM-SJLPKXTDSA-N
• XLogP: 2.41
• TPSA: 134.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-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-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (CID 121409160) is N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-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-1H-pyrrolo[2,3-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-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is COc1ccnc2[nH]cc(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-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?

The InChIKey is JTBSWSXGJXOQTM-SJLPKXTDSA-N. The full InChI is InChI=1S/C26H34N6O5/c1-16(14-33)29-25(34)20-12-22(31-26(30-20)37-15-18-4-3-11-36-18)32-9-6-17(7-10-32)19-13-28-24-23(19)21(35-2)5-8-27-24/h5,8,12-13,16-18,33H,3-4,6-7,9-11,14-15H2,1-2H3,(H,27,28)(H,29,34)/t16-,18-/m1/s1.

What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-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-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).