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

C28H26FN7O2 — CID 67972844

IUPACN-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCn1nccc1CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12
InChIInChI=1S/C28H26FN7O2/c1-35-20(10-11-32-35)13-30-26-27-31-14-25(17-6-9-22(23(29)12-17)28(38)33-19-7-8-19)36(27)15-24(34-26)21-5-3-2-4-18(21)16-37/h2-6,9-12,14-15,19,37H,7-8,13,16H2,1H3,(H,30,34)(H,33,38)
InChIKeyGVLZSESJJZOQIE-UHFFFAOYSA-N
MW511.56 g/mol
LogP3.93
Rot. Bonds8

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

N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67972844) has the molecular formula C28H26FN7O2 and a molecular weight of 511.56 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID67972844
Molecular FormulaC28H26FN7O2
Molecular Weight511.56 g/mol
Exact Mass511.21
IUPAC NameN-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCn1nccc1CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12
InChIInChI=1S/C28H26FN7O2/c1-35-20(10-11-32-35)13-30-26-27-31-14-25(17-6-9-22(23(29)12-17)28(38)33-19-7-8-19)36(27)15-24(34-26)21-5-3-2-4-18(21)16-37/h2-6,9-12,14-15,19,37H,7-8,13,16H2,1H3,(H,30,34)(H,33,38)
InChIKeyGVLZSESJJZOQIE-UHFFFAOYSA-N
XLogP3.93
TPSA109.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67972844) is N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]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-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is Cn1nccc1CNc1nc(-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-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is GVLZSESJJZOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O2/c1-35-20(10-11-32-35)13-30-26-27-31-14-25(17-6-9-22(23(29)12-17)28(38)33-19-7-8-19)36(27)15-24(34-26)21-5-3-2-4-18(21)16-37/h2-6,9-12,14-15,19,37H,7-8,13,16H2,1H3,(H,30,34)(H,33,38).
What are the key properties of N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 511.56 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67972844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).