1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

C24H22F3N5O3 — CID 159300558

IUPAC1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESNc1nc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)ncc1OCCO
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)6-4-18(34)11-15-2-1-3-16(10-15)19-13-29-21-12-17(5-7-32(19)21)23-30-14-20(22(28)31-23)35-9-8-33/h1-3,5,7,10,12-14,33H,4,6,8-9,11H2,(H2,28,30,31)
InChIKeyLBGWMIMXTJRJSY-UHFFFAOYSA-N
MW485.47 g/mol
LogP3.87
Rot. Bonds9

About 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 159300558) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
PubChem CID159300558
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESNc1nc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)ncc1OCCO
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)6-4-18(34)11-15-2-1-3-16(10-15)19-13-29-21-12-17(5-7-32(19)21)23-30-14-20(22(28)31-23)35-9-8-33/h1-3,5,7,10,12-14,33H,4,6,8-9,11H2,(H2,28,30,31)
InChIKeyLBGWMIMXTJRJSY-UHFFFAOYSA-N
XLogP3.87
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 49830617
1-[3-[7-(5-Methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547750
1-[3-[7-[4-Amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169819
1-[3-[7-(4-Amino-5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169976
1-[3-[7-(5-Ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68170033
2-[2-[1-(6-Amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol
CID 89444905
6-[4-[1-[2-(Dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine
CID 89450749
3-[[4-[2-(4-Fluorophenyl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 49830608
3-[[4-[2-(2,4-Difluorophenyl)-8-methoxyimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 49830610
3-[[4-[2-(2,4-Difluorophenyl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 49830612
1-[[4-[2-(2,4-Difluorophenyl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
CID 49830615
Protein kinase inhibitor 16
CID 49830618

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 159300558) is 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is Nc1nc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)ncc1OCCO.
What is the InChIKey of 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The InChIKey is LBGWMIMXTJRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)6-4-18(34)11-15-2-1-3-16(10-15)19-13-29-21-12-17(5-7-32(19)21)23-30-14-20(22(28)31-23)35-9-8-33/h1-3,5,7,10,12-14,33H,4,6,8-9,11H2,(H2,28,30,31).
What are the key properties of 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 485.47 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[4-amino-5-(2-hydroxyethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 159300558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).