6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine

C30H30FN5O — CID 147747550

IUPAC6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(F)cc4)C5)CC3)[nH]c2C)ccc1C
InChIInChI=1S/C30H30FN5O/c1-18-4-5-22(16-27(18)37-3)28-19(2)34-29(35-28)21-10-12-36(13-11-21)30-25-14-23(15-26(25)32-17-33-30)20-6-8-24(31)9-7-20/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,34,35)
InChIKeyHBOKFADQLHWOMF-UHFFFAOYSA-N
MW495.60 g/mol
LogP6.11
Rot. Bonds5

About 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine

6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (PubChem CID 147747550) has the molecular formula C30H30FN5O and a molecular weight of 495.60 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
PubChem CID147747550
Molecular FormulaC30H30FN5O
Molecular Weight495.60 g/mol
Exact Mass495.24
IUPAC Name6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(F)cc4)C5)CC3)[nH]c2C)ccc1C
InChIInChI=1S/C30H30FN5O/c1-18-4-5-22(16-27(18)37-3)28-19(2)34-29(35-28)21-10-12-36(13-11-21)30-25-14-23(15-26(25)32-17-33-30)20-6-8-24(31)9-7-20/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,34,35)
InChIKeyHBOKFADQLHWOMF-UHFFFAOYSA-N
XLogP6.11
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538790
(2S)-2-[[6-[2-methoxy-4-[(2-piperidin-1-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162643942
(2S)-2-[[6-[2-methoxy-4-[(2-piperazin-1-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162646903
N-[[3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 162658076
(2S)-2-[[6-[2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162669485
9-methoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663380
9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663629
9-methoxy-4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663797

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (CID 147747550) is 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is COc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(F)cc4)C5)CC3)[nH]c2C)ccc1C.
What is the InChIKey of 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The InChIKey is HBOKFADQLHWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O/c1-18-4-5-22(16-27(18)37-3)28-19(2)34-29(35-28)21-10-12-36(13-11-21)30-25-14-23(15-26(25)32-17-33-30)20-6-8-24(31)9-7-20/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,34,35).
What are the key properties of 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 495.60 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 147747550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).