1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea

C20H27F2N5O — CID 167881223

IUPAC1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
SMILESCC(C)CC(CN)NC(=O)NC1CCc2nc(-c3ccc(F)cc3F)cn2C1
InChIInChI=1S/C20H27F2N5O/c1-12(2)7-15(9-23)25-20(28)24-14-4-6-19-26-18(11-27(19)10-14)16-5-3-13(21)8-17(16)22/h3,5,8,11-12,14-15H,4,6-7,9-10,23H2,1-2H3,(H2,24,25,28)
InChIKeyHLTBLMWIUDSRDE-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.82
Rot. Bonds6

About 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea

1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea (PubChem CID 167881223) has the molecular formula C20H27F2N5O and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
PubChem CID167881223
Molecular FormulaC20H27F2N5O
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
SMILESCC(C)CC(CN)NC(=O)NC1CCc2nc(-c3ccc(F)cc3F)cn2C1
InChIInChI=1S/C20H27F2N5O/c1-12(2)7-15(9-23)25-20(28)24-14-4-6-19-26-18(11-27(19)10-14)16-5-3-13(21)8-17(16)22/h3,5,8,11-12,14-15H,4,6-7,9-10,23H2,1-2H3,(H2,24,25,28)
InChIKeyHLTBLMWIUDSRDE-UHFFFAOYSA-N
XLogP2.82
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea (CID 167881223) is 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea is CC(C)CC(CN)NC(=O)NC1CCc2nc(-c3ccc(F)cc3F)cn2C1.
What is the InChIKey of 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The InChIKey is HLTBLMWIUDSRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O/c1-12(2)7-15(9-23)25-20(28)24-14-4-6-19-26-18(11-27(19)10-14)16-5-3-13(21)8-17(16)22/h3,5,8,11-12,14-15H,4,6-7,9-10,23H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea has a molecular weight of 391.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methylpentan-2-yl)-3-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea is sourced from PubChem (CID 167881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).