4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine

C22H23N5O — CID 50956995

IUPAC4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine
SMILESc1ccc(-c2ncn(CC3CCNCC3)c2-c2ccc(-c3ccn[nH]3)o2)cc1
InChIInChI=1S/C22H23N5O/c1-2-4-17(5-3-1)21-22(20-7-6-19(28-20)18-10-13-25-26-18)27(15-24-21)14-16-8-11-23-12-9-16/h1-7,10,13,15-16,23H,8-9,11-12,14H2,(H,25,26)
InChIKeyFKAMJHMMRBBDOC-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.20
Rot. Bonds5

About 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine

4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine (PubChem CID 50956995) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine
PubChem CID50956995
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine
SMILESc1ccc(-c2ncn(CC3CCNCC3)c2-c2ccc(-c3ccn[nH]3)o2)cc1
InChIInChI=1S/C22H23N5O/c1-2-4-17(5-3-1)21-22(20-7-6-19(28-20)18-10-13-25-26-18)27(15-24-21)14-16-8-11-23-12-9-16/h1-7,10,13,15-16,23H,8-9,11-12,14H2,(H,25,26)
InChIKeyFKAMJHMMRBBDOC-UHFFFAOYSA-N
XLogP4.20
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 11371348
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
CID 11739527
7-(furan-2-yl)-3-(1H-indazol-5-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874662
7-(furan-2-yl)-3-(1H-indol-5-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874675
5-(2-Amino-pyrimidin-4-yl)-2-benzofuran-2-yl-1H-pyrrole-3-carboxamide
CID 49788931
1-(2-Benzofuranyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54580415
1-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-8-(1-methylimidazol-4-yl)-4-(1-methylpyrazol-4-yl)benzofuro[3,2-d]pyrimidin-2-one
CID 71681908
2-(5-methylfuran-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 4580669
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 28953542

Frequently Asked Questions

What is the IUPAC name of 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine (CID 50956995) is 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine is c1ccc(-c2ncn(CC3CCNCC3)c2-c2ccc(-c3ccn[nH]3)o2)cc1.
What is the InChIKey of 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine?
The InChIKey is FKAMJHMMRBBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-4-17(5-3-1)21-22(20-7-6-19(28-20)18-10-13-25-26-18)27(15-24-21)14-16-8-11-23-12-9-16/h1-7,10,13,15-16,23H,8-9,11-12,14H2,(H,25,26).
What are the key properties of 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine?
4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine has a molecular weight of 373.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 50956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).