1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

C24H26FN5 — CID 58824273

IUPAC1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccn2c(-c3ccnc(C(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H26FN5/c1-24(2,3)23-26-12-10-19(27-23)22-21(17-6-8-18(25)9-7-17)28-20-14-16(15-29(4)5)11-13-30(20)22/h6-14H,15H2,1-5H3
InChIKeyFIWBSLROMZNJKL-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.96
Rot. Bonds4

About 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (PubChem CID 58824273) has the molecular formula C24H26FN5 and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
PubChem CID58824273
Molecular FormulaC24H26FN5
Molecular Weight403.51 g/mol
Exact Mass403.22
IUPAC Name1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccn2c(-c3ccnc(C(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H26FN5/c1-24(2,3)23-26-12-10-19(27-23)22-21(17-6-8-18(25)9-7-17)28-20-14-16(15-29(4)5)11-13-30(20)22/h6-14H,15H2,1-5H3
InChIKeyFIWBSLROMZNJKL-UHFFFAOYSA-N
XLogP4.96
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (CID 58824273) is 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccn2c(-c3ccnc(C(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The InChIKey is FIWBSLROMZNJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5/c1-24(2,3)23-26-12-10-19(27-23)22-21(17-6-8-18(25)9-7-17)28-20-14-16(15-29(4)5)11-13-30(20)22/h6-14H,15H2,1-5H3.
What are the key properties of 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine has a molecular weight of 403.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58824273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).