(2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone

C29H36N6O4 — CID 126680706

About (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone

(2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone (PubChem CID 126680706) has the molecular formula C29H36N6O4 and a molecular weight of 532.65 g/mol. Its IUPAC name is (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone.

Molecular Properties

• Compound Name: (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
• PubChem CID: 126680706
• Molecular Formula: C29H36N6O4
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.28
• IUPAC Name: (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
• SMILES: O=C(c1cc(N2CCC(C3=NCc4ncccc43)CC2)nc(OC[C@H]2CCCO2)n1)N1CCOC(C2CC2)C1
• InChI: InChI=1S/C29H36N6O4/c36-28(35-12-14-38-25(17-35)19-5-6-19)23-15-26(33-29(32-23)39-18-21-3-2-13-37-21)34-10-7-20(8-11-34)27-22-4-1-9-30-24(22)16-31-27/h1,4,9,15,19-21,25H,2-3,5-8,10-14,16-18H2/t21-,25?/m1/s1
• InChIKey: DZQMDJYPHKJGKN-JGKWMGOWSA-N
• XLogP: 2.90
• TPSA: 102.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?

The IUPAC name of (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone (CID 126680706) is (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone.

What is the SMILES notation for (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?

The canonical SMILES for (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone is O=C(c1cc(N2CCC(C3=NCc4ncccc43)CC2)nc(OC[C@H]2CCCO2)n1)N1CCOC(C2CC2)C1.

What is the InChIKey of (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?

The InChIKey is DZQMDJYPHKJGKN-JGKWMGOWSA-N. The full InChI is InChI=1S/C29H36N6O4/c36-28(35-12-14-38-25(17-35)19-5-6-19)23-15-26(33-29(32-23)39-18-21-3-2-13-37-21)34-10-7-20(8-11-34)27-22-4-1-9-30-24(22)16-31-27/h1,4,9,15,19-21,25H,2-3,5-8,10-14,16-18H2/t21-,25?/m1/s1.

What are the key properties of (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?

(2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone has a molecular weight of 532.65 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2-cyclopropylmorpholin-4-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 126680706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).