[2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C28H34N4O3 — CID 123279750

IUPAC[2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)N1CCC2(CC1)CC2CNC(O)c1cc2ccncc2o1
InChIInChI=1S/C28H34N4O3/c33-26(24-15-22-7-10-29-18-25(22)35-24)30-17-23-16-28(23)8-13-32(14-9-28)27(34)21-5-3-20(4-6-21)19-31-11-1-2-12-31/h3-7,10,15,18,23,26,30,33H,1-2,8-9,11-14,16-17,19H2
InChIKeyUOGCZXHHUIBEIP-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.95
Rot. Bonds7

About [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

[2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 123279750) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID123279750
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name[2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)N1CCC2(CC1)CC2CNC(O)c1cc2ccncc2o1
InChIInChI=1S/C28H34N4O3/c33-26(24-15-22-7-10-29-18-25(22)35-24)30-17-23-16-28(23)8-13-32(14-9-28)27(34)21-5-3-20(4-6-21)19-31-11-1-2-12-31/h3-7,10,15,18,23,26,30,33H,1-2,8-9,11-14,16-17,19H2
InChIKeyUOGCZXHHUIBEIP-UHFFFAOYSA-N
XLogP3.95
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 123279750) is [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCC2)cc1)N1CCC2(CC1)CC2CNC(O)c1cc2ccncc2o1.
What is the InChIKey of [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is UOGCZXHHUIBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c33-26(24-15-22-7-10-29-18-25(22)35-24)30-17-23-16-28(23)8-13-32(14-9-28)27(34)21-5-3-20(4-6-21)19-31-11-1-2-12-31/h3-7,10,15,18,23,26,30,33H,1-2,8-9,11-14,16-17,19H2.
What are the key properties of [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
[2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 474.61 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[furo[2,3-c]pyridin-2-yl(hydroxy)methyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 123279750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).