2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C29H22FN5O2 — CID 68806587

IUPAC2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(N[C@@H]1CCOC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)C=C4)n3c2)cc1F
InChIInChI=1S/C29H22FN5O2/c30-24-13-18(3-5-23(24)27(36)34-22-7-11-37-17-22)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-19(12-21)2-1-10-31-25/h1-6,8-10,12-16,22H,7,11,17H2,(H,34,36)/t22-/m1/s1
InChIKeySBNGWOCHIUHJPZ-JOCHJYFZSA-N
MW491.53 g/mol
LogP4.46
Rot. Bonds5

About 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 68806587) has the molecular formula C29H22FN5O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID68806587
Molecular FormulaC29H22FN5O2
Molecular Weight491.53 g/mol
Exact Mass491.18
IUPAC Name2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(N[C@@H]1CCOC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)C=C4)n3c2)cc1F
InChIInChI=1S/C29H22FN5O2/c30-24-13-18(3-5-23(24)27(36)34-22-7-11-37-17-22)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-19(12-21)2-1-10-31-25/h1-6,8-10,12-16,22H,7,11,17H2,(H,34,36)/t22-/m1/s1
InChIKeySBNGWOCHIUHJPZ-JOCHJYFZSA-N
XLogP4.46
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoyl]amino]propanoic acid
CID 67224078
2-fluoro-N-(2-methoxypropyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 90999657
2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 90919373
3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 25145094
6-[1-[6-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
CID 155180717
2-fluoro-N-(4-hydroxycyclohexyl)-4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 53247039
2-tert-butyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoic acid;4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoic acid
CID 68812981
2-chloro-N-(1-pyridin-2-ylethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 59420971
6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
CID 141215062
methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate
CID 67223734
N-cyclopropyl-2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420970
methyl N-fluoro-N-[[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate
CID 87315323

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 68806587) is 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(N[C@@H]1CCOC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)C=C4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is SBNGWOCHIUHJPZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H22FN5O2/c30-24-13-18(3-5-23(24)27(36)34-22-7-11-37-17-22)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-19(12-21)2-1-10-31-25/h1-6,8-10,12-16,22H,7,11,17H2,(H,34,36)/t22-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 491.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-oxolan-3-yl]-4-[3-(1-quinolin-6-ylcycloprop-2-en-1-yl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 68806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).