N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C27H28FN5O2 — CID 67976902

IUPACN-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12
InChIInChI=1S/C27H28FN5O2/c1-16(2)12-29-25-26-30-13-24(17-7-10-21(22(28)11-17)27(35)31-19-8-9-19)33(26)14-23(32-25)20-6-4-3-5-18(20)15-34/h3-7,10-11,13-14,16,19,34H,8-9,12,15H2,1-2H3,(H,29,32)(H,31,35)
InChIKeyYTVUYZWKBKNRBE-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.65
Rot. Bonds8

About N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67976902) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID67976902
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC NameN-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12
InChIInChI=1S/C27H28FN5O2/c1-16(2)12-29-25-26-30-13-24(17-7-10-21(22(28)11-17)27(35)31-19-8-9-19)33(26)14-23(32-25)20-6-4-3-5-18(20)15-34/h3-7,10-11,13-14,16,19,34H,8-9,12,15H2,1-2H3,(H,29,32)(H,31,35)
InChIKeyYTVUYZWKBKNRBE-UHFFFAOYSA-N
XLogP4.65
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67976902) is N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is YTVUYZWKBKNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-16(2)12-29-25-26-30-13-24(17-7-10-21(22(28)11-17)27(35)31-19-8-9-19)33(26)14-23(32-25)20-6-4-3-5-18(20)15-34/h3-7,10-11,13-14,16,19,34H,8-9,12,15H2,1-2H3,(H,29,32)(H,31,35).
What are the key properties of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67976902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).