N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

C27H28FN5O2 — CID 67976575

IUPACN-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(C)(C)O)nc(-c4ccc(F)cc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H28FN5O2/c1-16-12-18(6-11-21(16)26(34)31-20-9-10-20)23-13-29-25-24(30-15-27(2,3)35)32-22(14-33(23)25)17-4-7-19(28)8-5-17/h4-8,11-14,20,35H,9-10,15H2,1-3H3,(H,30,32)(H,31,34)
InChIKeyYKPTVDQISGTXFU-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.59
Rot. Bonds7

About N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (PubChem CID 67976575) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
PubChem CID67976575
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC NameN-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(C)(C)O)nc(-c4ccc(F)cc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H28FN5O2/c1-16-12-18(6-11-21(16)26(34)31-20-9-10-20)23-13-29-25-24(30-15-27(2,3)35)32-22(14-33(23)25)17-4-7-19(28)8-5-17/h4-8,11-14,20,35H,9-10,15H2,1-3H3,(H,30,32)(H,31,34)
InChIKeyYKPTVDQISGTXFU-UHFFFAOYSA-N
XLogP4.59
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (CID 67976575) is N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(C)(C)O)nc(-c4ccc(F)cc4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The InChIKey is YKPTVDQISGTXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-16-12-18(6-11-21(16)26(34)31-20-9-10-20)23-13-29-25-24(30-15-27(2,3)35)32-22(14-33(23)25)17-4-7-19(28)8-5-17/h4-8,11-14,20,35H,9-10,15H2,1-3H3,(H,30,32)(H,31,34).
What are the key properties of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide has a molecular weight of 473.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(4-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 67976575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).