(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride

C18H26Cl2FN5O — CID 154900960

IUPAC(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride
SMILESCc1cccc2nc(C(=O)N3CCN(C)C4(CCNCC4)C3)c(F)n12.Cl.Cl
InChIInChI=1S/C18H24FN5O.2ClH/c1-13-4-3-5-14-21-15(16(19)24(13)14)17(25)23-11-10-22(2)18(12-23)6-8-20-9-7-18;;/h3-5,20H,6-12H2,1-2H3;2*1H
InChIKeyBTUIURYJPSYNDJ-UHFFFAOYSA-N
MW418.34 g/mol
LogP2.14
Rot. Bonds1

About (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride

(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride (PubChem CID 154900960) has the molecular formula C18H26Cl2FN5O and a molecular weight of 418.34 g/mol. Its IUPAC name is (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride
PubChem CID154900960
Molecular FormulaC18H26Cl2FN5O
Molecular Weight418.34 g/mol
Exact Mass417.15
IUPAC Name(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride
SMILESCc1cccc2nc(C(=O)N3CCN(C)C4(CCNCC4)C3)c(F)n12.Cl.Cl
InChIInChI=1S/C18H24FN5O.2ClH/c1-13-4-3-5-14-21-15(16(19)24(13)14)17(25)23-11-10-22(2)18(12-23)6-8-20-9-7-18;;/h3-5,20H,6-12H2,1-2H3;2*1H
InChIKeyBTUIURYJPSYNDJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride?
The IUPAC name of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride (CID 154900960) is (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride?
The canonical SMILES for (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride is Cc1cccc2nc(C(=O)N3CCN(C)C4(CCNCC4)C3)c(F)n12.Cl.Cl.
What is the InChIKey of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride?
The InChIKey is BTUIURYJPSYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O.2ClH/c1-13-4-3-5-14-21-15(16(19)24(13)14)17(25)23-11-10-22(2)18(12-23)6-8-20-9-7-18;;/h3-5,20H,6-12H2,1-2H3;2*1H.
What are the key properties of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride?
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride has a molecular weight of 418.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 154900960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).