1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid

About 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid

1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid (PubChem CID 155864802) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid.

Molecular Properties

Compound Name	1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid
PubChem CID	155864802
Molecular Formula	C26H31FN4O3
Molecular Weight	466.56 g/mol
Exact Mass	466.24
IUPAC Name	1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid
SMILES	Cc1c(CN2CCCC3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc2ccccn12.O=CO
InChI	InChI=1S/C25H29FN4O.CH2O2/c1-19-22(27-23-5-2-3-15-29(19)23)18-28-14-4-11-25(13-16-28)12-10-24(31)30(25)17-20-6-8-21(26)9-7-20;2-1-3/h2-3,5-9,15H,4,10-14,16-18H2,1H3;1H,(H,2,3)
InChIKey	YWPBNNVBAGIYHI-UHFFFAOYSA-N
XLogP	4.03
TPSA	78.15 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid (CID 155864802) is 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid is Cc1c(CN2CCCC3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc2ccccn12.O=CO.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid?

The InChIKey is YWPBNNVBAGIYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O.CH2O2/c1-19-22(27-23-5-2-3-15-29(19)23)18-28-14-4-11-25(13-16-28)12-10-24(31)30(25)17-20-6-8-21(26)9-7-20;2-1-3/h2-3,5-9,15H,4,10-14,16-18H2,1H3;1H,(H,2,3).

What are the key properties of 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid?

1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid has a molecular weight of 466.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid is sourced from PubChem (CID 155864802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).