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

C21H24FN5O — CID 126571978

IUPACN-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCC(C)Cc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)ccn12
InChIInChI=1S/C21H24FN5O/c1-14(2)11-16-13-23-20-25-19(7-10-27(16)20)17-12-15(5-6-18(17)22)24-21(28)26-8-3-4-9-26/h5-7,10,12-14H,3-4,8-9,11H2,1-2H3,(H,24,28)
InChIKeyPLAHKLNTWUKAKT-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.36
Rot. Bonds4

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

N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 126571978) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID126571978
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCC(C)Cc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)ccn12
InChIInChI=1S/C21H24FN5O/c1-14(2)11-16-13-23-20-25-19(7-10-27(16)20)17-12-15(5-6-18(17)22)24-21(28)26-8-3-4-9-26/h5-7,10,12-14H,3-4,8-9,11H2,1-2H3,(H,24,28)
InChIKeyPLAHKLNTWUKAKT-UHFFFAOYSA-N
XLogP4.36
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide (CID 126571978) is N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide is CC(C)Cc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)ccn12.
What is the InChIKey of N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is PLAHKLNTWUKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-14(2)11-16-13-23-20-25-19(7-10-27(16)20)17-12-15(5-6-18(17)22)24-21(28)26-8-3-4-9-26/h5-7,10,12-14H,3-4,8-9,11H2,1-2H3,(H,24,28).
What are the key properties of N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[3-(2-methylpropyl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126571978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).