[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone

C27H31FN6O3 — CID 137366204

IUPAC[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C27H31FN6O3/c1-18-22(26(31-32(18)2)27(35)33-10-13-36-14-11-33)8-12-37-24-15-20(28)4-5-23(24)19-3-6-25-30-16-21(7-9-29)34(25)17-19/h3-6,15-17H,7-14,29H2,1-2H3
InChIKeyHMQHVKCKZCNGLT-UHFFFAOYSA-N
MW506.58 g/mol
LogP2.78
Rot. Bonds8

About [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone

[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 137366204) has the molecular formula C27H31FN6O3 and a molecular weight of 506.58 g/mol. Its IUPAC name is [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID137366204
Molecular FormulaC27H31FN6O3
Molecular Weight506.58 g/mol
Exact Mass506.24
IUPAC Name[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C27H31FN6O3/c1-18-22(26(31-32(18)2)27(35)33-10-13-36-14-11-33)8-12-37-24-15-20(28)4-5-23(24)19-3-6-25-30-16-21(7-9-29)34(25)17-19/h3-6,15-17H,7-14,29H2,1-2H3
InChIKeyHMQHVKCKZCNGLT-UHFFFAOYSA-N
XLogP2.78
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 137366204) is [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N2CCOCC2)nn1C.
What is the InChIKey of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HMQHVKCKZCNGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O3/c1-18-22(26(31-32(18)2)27(35)33-10-13-36-14-11-33)8-12-37-24-15-20(28)4-5-23(24)19-3-6-25-30-16-21(7-9-29)34(25)17-19/h3-6,15-17H,7-14,29H2,1-2H3.
What are the key properties of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone?
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 506.58 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137366204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).