1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

C22H23FN4OS — CID 46954127

IUPAC1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1c(-c2ccc(F)cc2)nc2ncccn12)CC(C)O
InChIInChI=1S/C22H23FN4OS/c1-15-8-11-29-20(15)14-26(12-16(2)28)13-19-21(17-4-6-18(23)7-5-17)25-22-24-9-3-10-27(19)22/h3-11,16,28H,12-14H2,1-2H3
InChIKeyDLIUYFXFUKMQQL-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.29
Rot. Bonds7

About 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 46954127) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID46954127
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1c(-c2ccc(F)cc2)nc2ncccn12)CC(C)O
InChIInChI=1S/C22H23FN4OS/c1-15-8-11-29-20(15)14-26(12-16(2)28)13-19-21(17-4-6-18(23)7-5-17)25-22-24-9-3-10-27(19)22/h3-11,16,28H,12-14H2,1-2H3
InChIKeyDLIUYFXFUKMQQL-UHFFFAOYSA-N
XLogP4.29
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol
CID 20823993
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
US9670204, 180 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)ethanol
CID 78427261
N-benzyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
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N-(2-Ethyl-6-methylphenyl)-2-(thiophen-3-YL)imidazo[1,2-A]pyrimidin-3-amine
CID 15990365
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2-[2-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylethanol
CID 44427528
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
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6-Methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 46954127) is 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccsc1CN(Cc1c(-c2ccc(F)cc2)nc2ncccn12)CC(C)O.
What is the InChIKey of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is DLIUYFXFUKMQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-15-8-11-29-20(15)14-26(12-16(2)28)13-19-21(17-4-6-18(23)7-5-17)25-22-24-9-3-10-27(19)22/h3-11,16,28H,12-14H2,1-2H3.
What are the key properties of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 410.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46954127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).