4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

C22H21FN6 — CID 58824293

IUPAC4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CNC4CC4)ccn23)n1
InChIInChI=1S/C22H21FN6/c1-24-22-25-10-8-18(27-22)21-20(15-2-4-16(23)5-3-15)28-19-12-14(9-11-29(19)21)13-26-17-6-7-17/h2-5,8-12,17,26H,6-7,13H2,1H3,(H,24,25,27)
InChIKeyGDQJINMZOFSNNO-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.89
Rot. Bonds6

About 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 58824293) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
PubChem CID58824293
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CNC4CC4)ccn23)n1
InChIInChI=1S/C22H21FN6/c1-24-22-25-10-8-18(27-22)21-20(15-2-4-16(23)5-3-15)28-19-12-14(9-11-29(19)21)13-26-17-6-7-17/h2-5,8-12,17,26H,6-7,13H2,1H3,(H,24,25,27)
InChIKeyGDQJINMZOFSNNO-UHFFFAOYSA-N
XLogP3.89
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (CID 58824293) is 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CNC4CC4)ccn23)n1.
What is the InChIKey of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is GDQJINMZOFSNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-24-22-25-10-8-18(27-22)21-20(15-2-4-16(23)5-3-15)28-19-12-14(9-11-29(19)21)13-26-17-6-7-17/h2-5,8-12,17,26H,6-7,13H2,1H3,(H,24,25,27).
What are the key properties of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 58824293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).