[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol

C34H38N8O4 — CID 70677107

IUPAC[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCc1ncc(CO)c2c(Nc3ccccn3)c(NCCCCCCNc3oc4c(C)ncc(CO)c4c3Nc3ccccn3)oc12
InChIInChI=1S/C34H38N8O4/c1-21-31-27(23(19-43)17-39-21)29(41-25-11-5-9-13-35-25)33(45-31)37-15-7-3-4-8-16-38-34-30(42-26-12-6-10-14-36-26)28-24(20-44)18-40-22(2)32(28)46-34/h5-6,9-14,17-18,37-38,43-44H,3-4,7-8,15-16,19-20H2,1-2H3,(H,35,41)(H,36,42)
InChIKeyPVPAWGRJDSOEDW-UHFFFAOYSA-N
MW622.73 g/mol
LogP6.93
Rot. Bonds15

About [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol

[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol (PubChem CID 70677107) has the molecular formula C34H38N8O4 and a molecular weight of 622.73 g/mol. Its IUPAC name is [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
PubChem CID70677107
Molecular FormulaC34H38N8O4
Molecular Weight622.73 g/mol
Exact Mass622.30
IUPAC Name[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCc1ncc(CO)c2c(Nc3ccccn3)c(NCCCCCCNc3oc4c(C)ncc(CO)c4c3Nc3ccccn3)oc12
InChIInChI=1S/C34H38N8O4/c1-21-31-27(23(19-43)17-39-21)29(41-25-11-5-9-13-35-25)33(45-31)37-15-7-3-4-8-16-38-34-30(42-26-12-6-10-14-36-26)28-24(20-44)18-40-22(2)32(28)46-34/h5-6,9-14,17-18,37-38,43-44H,3-4,7-8,15-16,19-20H2,1-2H3,(H,35,41)(H,36,42)
InChIKeyPVPAWGRJDSOEDW-UHFFFAOYSA-N
XLogP6.93
TPSA166.42 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 56.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The IUPAC name of [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol (CID 70677107) is [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol is Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCCCCCNc3oc4c(C)ncc(CO)c4c3Nc3ccccn3)oc12.
What is the InChIKey of [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The InChIKey is PVPAWGRJDSOEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O4/c1-21-31-27(23(19-43)17-39-21)29(41-25-11-5-9-13-35-25)33(45-31)37-15-7-3-4-8-16-38-34-30(42-26-12-6-10-14-36-26)28-24(20-44)18-40-22(2)32(28)46-34/h5-6,9-14,17-18,37-38,43-44H,3-4,7-8,15-16,19-20H2,1-2H3,(H,35,41)(H,36,42).
What are the key properties of [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol has a molecular weight of 622.73 g/mol, XLogP of 6.93, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 70677107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).