4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C22H23FN6 — CID 24887879

IUPAC4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)NCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6/c1-22(2,3)26-13-14-9-11-29-18(12-14)28-19(15-4-6-16(23)7-5-15)20(29)17-8-10-25-21(24)27-17/h4-12,26H,13H2,1-3H3,(H2,24,25,27)
InChIKeyFZGBXZFHFFMTQC-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.07
Rot. Bonds4

About 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887879) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887879
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)NCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6/c1-22(2,3)26-13-14-9-11-29-18(12-14)28-19(15-4-6-16(23)7-5-15)20(29)17-8-10-25-21(24)27-17/h4-12,26H,13H2,1-3H3,(H2,24,25,27)
InChIKeyFZGBXZFHFFMTQC-UHFFFAOYSA-N
XLogP4.07
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887879) is 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CC(C)(C)NCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is FZGBXZFHFFMTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-22(2,3)26-13-14-9-11-29-18(12-14)28-19(15-4-6-16(23)7-5-15)20(29)17-8-10-25-21(24)27-17/h4-12,26H,13H2,1-3H3,(H2,24,25,27).
What are the key properties of 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 390.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(tert-butylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).