1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea

C29H33FN6O2 — CID 69350406

IUPAC1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea
SMILESCc1cccc(C2(c3ccc(F)c(-c4ccc(NC(=O)NN5CCOCC5)cc4)c3)CN=C(C(C)C)N2)n1
InChIInChI=1S/C29H33FN6O2/c1-19(2)27-31-18-29(34-27,26-6-4-5-20(3)32-26)22-9-12-25(30)24(17-22)21-7-10-23(11-8-21)33-28(37)35-36-13-15-38-16-14-36/h4-12,17,19H,13-16,18H2,1-3H3,(H,31,34)(H2,33,35,37)
InChIKeyLBLUAAIVFYIWTN-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.47
Rot. Bonds6

About 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea

1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea (PubChem CID 69350406) has the molecular formula C29H33FN6O2 and a molecular weight of 516.62 g/mol. Its IUPAC name is 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea
PubChem CID69350406
Molecular FormulaC29H33FN6O2
Molecular Weight516.62 g/mol
Exact Mass516.26
IUPAC Name1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea
SMILESCc1cccc(C2(c3ccc(F)c(-c4ccc(NC(=O)NN5CCOCC5)cc4)c3)CN=C(C(C)C)N2)n1
InChIInChI=1S/C29H33FN6O2/c1-19(2)27-31-18-29(34-27,26-6-4-5-20(3)32-26)22-9-12-25(30)24(17-22)21-7-10-23(11-8-21)33-28(37)35-36-13-15-38-16-14-36/h4-12,17,19H,13-16,18H2,1-3H3,(H,31,34)(H2,33,35,37)
InChIKeyLBLUAAIVFYIWTN-UHFFFAOYSA-N
XLogP4.47
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea
CID 11663298
1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea
CID 69351009
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide
CID 167955352
1-[4-[4-[1-(2,5-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-methylurea
CID 143741386
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea
CID 135771520
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
CID 3626403
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
CID 83024698
1-methyl-3-[4-[4-[1-(morpholine-4-carbonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143741375

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea?
The IUPAC name of 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea (CID 69350406) is 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea.
What is the SMILES notation for 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea?
The canonical SMILES for 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea is Cc1cccc(C2(c3ccc(F)c(-c4ccc(NC(=O)NN5CCOCC5)cc4)c3)CN=C(C(C)C)N2)n1.
What is the InChIKey of 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea?
The InChIKey is LBLUAAIVFYIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O2/c1-19(2)27-31-18-29(34-27,26-6-4-5-20(3)32-26)22-9-12-25(30)24(17-22)21-7-10-23(11-8-21)33-28(37)35-36-13-15-38-16-14-36/h4-12,17,19H,13-16,18H2,1-3H3,(H,31,34)(H2,33,35,37).
What are the key properties of 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea?
1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea has a molecular weight of 516.62 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,4-dihydroimidazol-5-yl]phenyl]phenyl]-3-morpholin-4-ylurea is sourced from PubChem (CID 69350406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).