4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine

C21H21FN6 — CID 24887414

IUPAC4-[7-(1-amino-2-methylpropan-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)(CN)C1=CC2=NC(=C(N2C=C1)C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
InChIInChI=1S/C21H21FN6/c1-21(2,12-23)14-8-10-28-17(11-14)27-18(13-3-5-15(22)6-4-13)19(28)16-7-9-25-20(24)26-16/h3-11H,12,23H2,1-2H3,(H2,24,25,26)
InChIKeyOCQNIHKHIHUINJ-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.30
Rot. Bonds4

About 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine

4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine (PubChem CID 24887414) has the molecular formula C21H21FN6 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[7-(1-amino-2-methylpropan-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
PubChem CID24887414
Molecular FormulaC21H21FN6
Molecular Weight376.40 g/mol
Exact Mass376.18
IUPAC Name4-[7-(1-amino-2-methylpropan-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)(CN)C1=CC2=NC(=C(N2C=C1)C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
InChIInChI=1S/C21H21FN6/c1-21(2,12-23)14-8-10-28-17(11-14)27-18(13-3-5-15(22)6-4-13)19(28)16-7-9-25-20(24)26-16/h3-11H,12,23H2,1-2H3,(H2,24,25,26)
InChIKeyOCQNIHKHIHUINJ-UHFFFAOYSA-N
XLogP3.30
TPSA95.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity523

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Abemaciclib
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Glu-P 1
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Adipiplon
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Miransertib
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SB-220025
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6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
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PF-4708671
CID 51371303
PF-670462
CID 51049607
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-790070
CID 9806182

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
The IUPAC name of 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine (CID 24887414) is 4-[7-(1-amino-2-methylpropan-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
The canonical SMILES for 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine is CC(C)(CN)C1=CC2=NC(=C(N2C=C1)C3=NC(=NC=C3)N)C4=CC=C(C=C4)F.
What is the InChIKey of 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
The InChIKey is OCQNIHKHIHUINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-21(2,12-23)14-8-10-28-17(11-14)27-18(13-3-5-15(22)6-4-13)19(28)16-7-9-25-20(24)26-16/h3-11H,12,23H2,1-2H3,(H2,24,25,26).
What are the key properties of 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine has a molecular weight of 376.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine is sourced from PubChem (CID 24887414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).