cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone

C23H24N4O — CID 160545765

IUPACcyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(C2=NC=C(c3cnc(-c4ccccc4)nc3)C2)C1
InChIInChI=1S/C23H24N4O/c28-23(17-8-9-17)27-10-4-7-18(15-27)21-11-19(12-24-21)20-13-25-22(26-14-20)16-5-2-1-3-6-16/h1-3,5-6,12-14,17-18H,4,7-11,15H2
InChIKeyQXKGFNGCRGEJBH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.98
Rot. Bonds4

About cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone

cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone (PubChem CID 160545765) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone
PubChem CID160545765
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Namecyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(C2=NC=C(c3cnc(-c4ccccc4)nc3)C2)C1
InChIInChI=1S/C23H24N4O/c28-23(17-8-9-17)27-10-4-7-18(15-27)21-11-19(12-24-21)20-13-25-22(26-14-20)16-5-2-1-3-6-16/h1-3,5-6,12-14,17-18H,4,7-11,15H2
InChIKeyQXKGFNGCRGEJBH-UHFFFAOYSA-N
XLogP3.98
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone 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

cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 48739524
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
CID 92631019
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone (CID 160545765) is cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(C2=NC=C(c3cnc(-c4ccccc4)nc3)C2)C1.
What is the InChIKey of cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone?
The InChIKey is QXKGFNGCRGEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(17-8-9-17)27-10-4-7-18(15-27)21-11-19(12-24-21)20-13-25-22(26-14-20)16-5-2-1-3-6-16/h1-3,5-6,12-14,17-18H,4,7-11,15H2.
What are the key properties of cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone?
cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[4-(2-phenylpyrimidin-5-yl)-3H-pyrrol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 160545765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).