propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

C21H21ClF2N6O3 — CID 86296370

IUPACpropan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)N4CCC(F)(F)C4)ccc3Cl)cn2c1
InChIInChI=1S/C21H21ClF2N6O3/c1-12(2)33-20(32)27-14-8-25-18-28-17(10-30(18)9-14)15-7-13(3-4-16(15)22)26-19(31)29-6-5-21(23,24)11-29/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyIAKAQTFXDGKBNN-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.88
Rot. Bonds4

About propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (PubChem CID 86296370) has the molecular formula C21H21ClF2N6O3 and a molecular weight of 478.89 g/mol. Its IUPAC name is propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
PubChem CID86296370
Molecular FormulaC21H21ClF2N6O3
Molecular Weight478.89 g/mol
Exact Mass478.13
IUPAC Namepropan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)N4CCC(F)(F)C4)ccc3Cl)cn2c1
InChIInChI=1S/C21H21ClF2N6O3/c1-12(2)33-20(32)27-14-8-25-18-28-17(10-30(18)9-14)15-7-13(3-4-16(15)22)26-19(31)29-6-5-21(23,24)11-29/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyIAKAQTFXDGKBNN-UHFFFAOYSA-N
XLogP4.88
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (CID 86296370) is propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is CC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)N4CCC(F)(F)C4)ccc3Cl)cn2c1.
What is the InChIKey of propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The InChIKey is IAKAQTFXDGKBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N6O3/c1-12(2)33-20(32)27-14-8-25-18-28-17(10-30(18)9-14)15-7-13(3-4-16(15)22)26-19(31)29-6-5-21(23,24)11-29/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate has a molecular weight of 478.89 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 86296370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).