1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine

C33H29Cl2N13O3 — CID 91613213

IUPAC1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine
SMILESClc1ccc(-c2cnc3nc(NNc4nc(N5CCOCC5)c5nc(-c6ccc7c(c6)CCO7)cnc5n4)nc(N4CCOCC4)c3n2)c(Cl)n1
InChIInChI=1S/C33H29Cl2N13O3/c34-24-4-2-20(27(35)40-24)22-17-37-29-26(39-22)31(48-8-13-50-14-9-48)44-33(42-29)46-45-32-41-28-25(30(43-32)47-6-11-49-12-7-47)38-21(16-36-28)18-1-3-23-19(15-18)5-10-51-23/h1-4,15-17H,5-14H2,(H,36,41,43,45)(H,37,42,44,46)
InChIKeyVPSOIIGFMRQSJG-UHFFFAOYSA-N
MW726.59 g/mol
LogP4.24
Rot. Bonds7

About 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine

1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine (PubChem CID 91613213) has the molecular formula C33H29Cl2N13O3 and a molecular weight of 726.59 g/mol. Its IUPAC name is 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine.

Molecular Properties

Compound Name1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine
PubChem CID91613213
Molecular FormulaC33H29Cl2N13O3
Molecular Weight726.59 g/mol
Exact Mass725.19
IUPAC Name1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine
SMILESClc1ccc(-c2cnc3nc(NNc4nc(N5CCOCC5)c5nc(-c6ccc7c(c6)CCO7)cnc5n4)nc(N4CCOCC4)c3n2)c(Cl)n1
InChIInChI=1S/C33H29Cl2N13O3/c34-24-4-2-20(27(35)40-24)22-17-37-29-26(39-22)31(48-8-13-50-14-9-48)44-33(42-29)46-45-32-41-28-25(30(43-32)47-6-11-49-12-7-47)38-21(16-36-28)18-1-3-23-19(15-18)5-10-51-23/h1-4,15-17H,5-14H2,(H,36,41,43,45)(H,37,42,44,46)
InChIKeyVPSOIIGFMRQSJG-UHFFFAOYSA-N
XLogP4.24
TPSA174.24 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.59
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine with MolForge

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Related Compounds

US11420970, Example 181
CID 156073161
US11420970, Example 187
CID 156073176
US11420970, Example 188
CID 156073179
US11420970, Example 228
CID 156073201
US11420970, Example 224
CID 156073274
US11420970, Example 216
CID 156073282
US11420970, Example 233
CID 156073320
US11420970, Example 242
CID 156073388
US11420970, Example 243
CID 156073389
US11420970, Example 184
CID 156073430
US11420970, Example 213
CID 156073466
US11420970, Example 236
CID 156073469

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine?
The IUPAC name of 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine (CID 91613213) is 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine.
What is the SMILES notation for 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine?
The canonical SMILES for 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine is Clc1ccc(-c2cnc3nc(NNc4nc(N5CCOCC5)c5nc(-c6ccc7c(c6)CCO7)cnc5n4)nc(N4CCOCC4)c3n2)c(Cl)n1.
What is the InChIKey of 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine?
The InChIKey is VPSOIIGFMRQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N13O3/c34-24-4-2-20(27(35)40-24)22-17-37-29-26(39-22)31(48-8-13-50-14-9-48)44-33(42-29)46-45-32-41-28-25(30(43-32)47-6-11-49-12-7-47)38-21(16-36-28)18-1-3-23-19(15-18)5-10-51-23/h1-4,15-17H,5-14H2,(H,36,41,43,45)(H,37,42,44,46).
What are the key properties of 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine?
1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine has a molecular weight of 726.59 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dichloro-3-pyridinyl)-4-morpholin-4-ylpteridin-2-yl]-2-[6-(2,3-dihydro-1-benzofuran-5-yl)-4-morpholin-4-ylpteridin-2-yl]hydrazine is sourced from PubChem (CID 91613213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).