N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide

C23H25FN6O2 — CID 159449093

IUPACN-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)cn2c1)C1CCCC1
InChIInChI=1S/C23H25FN6O2/c24-19-8-7-16(27-23(32)29-9-3-4-10-29)11-18(19)20-14-30-13-17(12-25-22(30)28-20)26-21(31)15-5-1-2-6-15/h7-8,11-15H,1-6,9-10H2,(H,26,31)(H,27,32)
InChIKeyLTDBIYSTKDEZEY-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.29
Rot. Bonds4

About N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide

N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide (PubChem CID 159449093) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
PubChem CID159449093
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)cn2c1)C1CCCC1
InChIInChI=1S/C23H25FN6O2/c24-19-8-7-16(27-23(32)29-9-3-4-10-29)11-18(19)20-14-30-13-17(12-25-22(30)28-20)26-21(31)15-5-1-2-6-15/h7-8,11-15H,1-6,9-10H2,(H,26,31)(H,27,32)
InChIKeyLTDBIYSTKDEZEY-UHFFFAOYSA-N
XLogP4.29
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 123265101
propan-2-yl N-[2-[2-fluoro-5-[(3-hydroxyazetidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 118875171
N-[4-chloro-3-[6-[4-(methylamino)phenyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 86296948
N-[4-fluoro-3-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
CID 126571945
N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
CID 123695711
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
benzyl N-[2-(5-amino-2-fluorophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate;methane;molecular hydrogen
CID 144717991
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
CID 154833960

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide (CID 159449093) is N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide is O=C(Nc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)cn2c1)C1CCCC1.
What is the InChIKey of N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The InChIKey is LTDBIYSTKDEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c24-19-8-7-16(27-23(32)29-9-3-4-10-29)11-18(19)20-14-30-13-17(12-25-22(30)28-20)26-21(31)15-5-1-2-6-15/h7-8,11-15H,1-6,9-10H2,(H,26,31)(H,27,32).
What are the key properties of N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 159449093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).