N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide

C22H26FN7O — CID 126571945

IUPACN-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCN1CCN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)CC1
InChIInChI=1S/C22H26FN7O/c1-27-10-12-28(13-11-27)20-15-24-21-26-19(6-9-30(20)21)17-14-16(4-5-18(17)23)25-22(31)29-7-2-3-8-29/h4-6,9,14-15H,2-3,7-8,10-13H2,1H3,(H,25,31)
InChIKeyYPGWUFHHEWYBJT-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.91
Rot. Bonds3

About N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 126571945) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID126571945
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC NameN-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCN1CCN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)CC1
InChIInChI=1S/C22H26FN7O/c1-27-10-12-28(13-11-27)20-15-24-21-26-19(6-9-30(20)21)17-14-16(4-5-18(17)23)25-22(31)29-7-2-3-8-29/h4-6,9,14-15H,2-3,7-8,10-13H2,1H3,(H,25,31)
InChIKeyYPGWUFHHEWYBJT-UHFFFAOYSA-N
XLogP2.91
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-difluoro-N-[4-fluoro-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
CID 126571949
N-[4-fluoro-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]-3-methyl-1,2-dihydroazete-2-carboxamide
CID 126571948
N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 159449093
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
1,1-diethyl-3-[4-fluoro-3-[3-(4-methylmorpholin-3-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]urea
CID 145257564
3-fluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 123265101
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-(3-fluoro-4-methylphenyl)-4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56922523
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155562516
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide (CID 126571945) is N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide is CN1CCN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)CC1.
What is the InChIKey of N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is YPGWUFHHEWYBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-27-10-12-28(13-11-27)20-15-24-21-26-19(6-9-30(20)21)17-14-16(4-5-18(17)23)25-22(31)29-7-2-3-8-29/h4-6,9,14-15H,2-3,7-8,10-13H2,1H3,(H,25,31).
What are the key properties of N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126571945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).