tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate

C30H32FN5O2 — CID 22005505

IUPACtert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)c2)CC1
InChIInChI=1S/C30H32FN5O2/c1-30(2,3)38-29(37)35-17-14-25(15-18-35)36-20-33-27(21-9-11-23(31)12-10-21)28(36)22-13-16-32-26(19-22)34-24-7-5-4-6-8-24/h4-13,16,19-20,25H,14-15,17-18H2,1-3H3,(H,32,34)
InChIKeySSUIIAVQYMHONL-UHFFFAOYSA-N
MW513.62 g/mol
LogP7.07
Rot. Bonds5

About tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate (PubChem CID 22005505) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
PubChem CID22005505
Molecular FormulaC30H32FN5O2
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC Nametert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)c2)CC1
InChIInChI=1S/C30H32FN5O2/c1-30(2,3)38-29(37)35-17-14-25(15-18-35)36-20-33-27(21-9-11-23(31)12-10-21)28(36)22-13-16-32-26(19-22)34-24-7-5-4-6-8-24/h4-13,16,19-20,25H,14-15,17-18H2,1-3H3,(H,32,34)
InChIKeySSUIIAVQYMHONL-UHFFFAOYSA-N
XLogP7.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

SB-220025
CID 5164
L-790070
CID 9806182
Gsk-3494245
CID 126571915
VK-19911
CID 9797240
SB-242235
CID 9863367
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 137701509
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
2,4-Disubstituted Pyrimidine 3d
CID 5329429
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate (CID 22005505) is tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)c2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is SSUIIAVQYMHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c1-30(2,3)38-29(37)35-17-14-25(15-18-35)36-20-33-27(21-9-11-23(31)12-10-21)28(36)22-13-16-32-26(19-22)34-24-7-5-4-6-8-24/h4-13,16,19-20,25H,14-15,17-18H2,1-3H3,(H,32,34).
What are the key properties of tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 513.62 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-anilino-4-pyridinyl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 22005505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).