N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide

C26H29FN6O — CID 58824430

IUPACN-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC(=O)CC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H29FN6O/c1-26(2,3)15-22(34)31-25-28-12-10-20(29-25)24-23(18-6-8-19(27)9-7-18)30-21-14-17(16-32(4)5)11-13-33(21)24/h6-14H,15-16H2,1-5H3,(H,28,29,31,34)
InChIKeyBXBGJGZTZCAOOV-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.03
Rot. Bonds6

About N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide

N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide (PubChem CID 58824430) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
PubChem CID58824430
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC NameN-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC(=O)CC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H29FN6O/c1-26(2,3)15-22(34)31-25-28-12-10-20(29-25)24-23(18-6-8-19(27)9-7-18)30-21-14-17(16-32(4)5)11-13-33(21)24/h6-14H,15-16H2,1-5H3,(H,28,29,31,34)
InChIKeyBXBGJGZTZCAOOV-UHFFFAOYSA-N
XLogP5.03
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide (CID 58824430) is N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide is CN(C)Cc1ccn2c(-c3ccnc(NC(=O)CC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is BXBGJGZTZCAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-26(2,3)15-22(34)31-25-28-12-10-20(29-25)24-23(18-6-8-19(27)9-7-18)30-21-14-17(16-32(4)5)11-13-33(21)24/h6-14H,15-16H2,1-5H3,(H,28,29,31,34).
What are the key properties of N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide?
N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 460.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58824430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).