3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea

C24H30F3N5O2 — CID 171401144

IUPAC3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea
SMILESCCN(C(=O)NCC(N(C)C)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3nccn3c2)c1
InChIInChI=1S/C24H30F3N5O2/c1-6-32(23(33)29-14-21(30(3)4)24(25,26)27)16(2)17-8-7-9-18(12-17)19-13-20(34-5)22-28-10-11-31(22)15-19/h7-13,15-16,21H,6,14H2,1-5H3,(H,29,33)/t16-,21?/m1/s1
InChIKeyIQXNJPSWPKEFLA-UJONTBEJSA-N
MW477.53 g/mol
LogP4.59
Rot. Bonds8

About 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea

3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea (PubChem CID 171401144) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea
PubChem CID171401144
Molecular FormulaC24H30F3N5O2
Molecular Weight477.53 g/mol
Exact Mass477.24
IUPAC Name3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea
SMILESCCN(C(=O)NCC(N(C)C)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3nccn3c2)c1
InChIInChI=1S/C24H30F3N5O2/c1-6-32(23(33)29-14-21(30(3)4)24(25,26)27)16(2)17-8-7-9-18(12-17)19-13-20(34-5)22-28-10-11-31(22)15-19/h7-13,15-16,21H,6,14H2,1-5H3,(H,29,33)/t16-,21?/m1/s1
InChIKeyIQXNJPSWPKEFLA-UJONTBEJSA-N
XLogP4.59
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea?
The IUPAC name of 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea (CID 171401144) is 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea.
What is the SMILES notation for 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea?
The canonical SMILES for 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea is CCN(C(=O)NCC(N(C)C)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3nccn3c2)c1.
What is the InChIKey of 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea?
The InChIKey is IQXNJPSWPKEFLA-UJONTBEJSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-6-32(23(33)29-14-21(30(3)4)24(25,26)27)16(2)17-8-7-9-18(12-17)19-13-20(34-5)22-28-10-11-31(22)15-19/h7-13,15-16,21H,6,14H2,1-5H3,(H,29,33)/t16-,21?/m1/s1.
What are the key properties of 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea?
3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea has a molecular weight of 477.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea is sourced from PubChem (CID 171401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).