5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine

C24H26N4O2 — CID 45141024

IUPAC5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
SMILESCN1CCC[C@H]1c1cnc2oc(-c3cc4cc([C@@H]5CCCN5C)cnc4o3)cc2c1
InChIInChI=1S/C24H26N4O2/c1-27-7-3-5-19(27)17-9-15-11-21(29-23(15)25-13-17)22-12-16-10-18(14-26-24(16)30-22)20-6-4-8-28(20)2/h9-14,19-20H,3-8H2,1-2H3/t19-,20-/m0/s1
InChIKeyXMJIIBDPWYBGMT-PMACEKPBSA-N
MW402.50 g/mol
LogP5.17
Rot. Bonds3

About 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine

5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine (PubChem CID 45141024) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
PubChem CID45141024
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
SMILESCN1CCC[C@H]1c1cnc2oc(-c3cc4cc([C@@H]5CCCN5C)cnc4o3)cc2c1
InChIInChI=1S/C24H26N4O2/c1-27-7-3-5-19(27)17-9-15-11-21(29-23(15)25-13-17)22-12-16-10-18(14-26-24(16)30-22)20-6-4-8-28(20)2/h9-14,19-20H,3-8H2,1-2H3/t19-,20-/m0/s1
InChIKeyXMJIIBDPWYBGMT-PMACEKPBSA-N
XLogP5.17
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine?
The IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine (CID 45141024) is 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine.
What is the SMILES notation for 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine?
The canonical SMILES for 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine is CN1CCC[C@H]1c1cnc2oc(-c3cc4cc([C@@H]5CCCN5C)cnc4o3)cc2c1.
What is the InChIKey of 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine?
The InChIKey is XMJIIBDPWYBGMT-PMACEKPBSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-7-3-5-19(27)17-9-15-11-21(29-23(15)25-13-17)22-12-16-10-18(14-26-24(16)30-22)20-6-4-8-28(20)2/h9-14,19-20H,3-8H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine?
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine has a molecular weight of 402.50 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine is sourced from PubChem (CID 45141024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).