8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H29FN4O2 — CID 134805588

IUPAC8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2ccccc2)N(Cc2ccccc2F)C(=O)OC12CCN(Cc1cccnc1N)CC2
InChIInChI=1S/C27H29FN4O2/c1-26(22-10-3-2-4-11-22)27(34-25(33)32(26)19-20-8-5-6-12-23(20)28)13-16-31(17-14-27)18-21-9-7-15-30-24(21)29/h2-12,15H,13-14,16-19H2,1H3,(H2,29,30)
InChIKeyHIXCSANHXBJGNS-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.71
Rot. Bonds5

About 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134805588) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134805588
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2ccccc2)N(Cc2ccccc2F)C(=O)OC12CCN(Cc1cccnc1N)CC2
InChIInChI=1S/C27H29FN4O2/c1-26(22-10-3-2-4-11-22)27(34-25(33)32(26)19-20-8-5-6-12-23(20)28)13-16-31(17-14-27)18-21-9-7-15-30-24(21)29/h2-12,15H,13-14,16-19H2,1H3,(H2,29,30)
InChIKeyHIXCSANHXBJGNS-UHFFFAOYSA-N
XLogP4.71
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134805588) is 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(c2ccccc2)N(Cc2ccccc2F)C(=O)OC12CCN(Cc1cccnc1N)CC2.
What is the InChIKey of 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HIXCSANHXBJGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-26(22-10-3-2-4-11-22)27(34-25(33)32(26)19-20-8-5-6-12-23(20)28)13-16-31(17-14-27)18-21-9-7-15-30-24(21)29/h2-12,15H,13-14,16-19H2,1H3,(H2,29,30).
What are the key properties of 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 460.55 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-3-pyridinyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134805588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).