(4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone

C24H21F2N5O — CID 155553694

IUPAC(4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C24H21F2N5O/c25-19-6-2-17(3-7-19)21-16-31-13-10-22(28-24(31)27-21)29-11-1-12-30(15-14-29)23(32)18-4-8-20(26)9-5-18/h2-10,13,16H,1,11-12,14-15H2
InChIKeyKSJDJQRFEIWQEU-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.03
Rot. Bonds3

About (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone

(4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone (PubChem CID 155553694) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone
PubChem CID155553694
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name(4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C24H21F2N5O/c25-19-6-2-17(3-7-19)21-16-31-13-10-22(28-24(31)27-21)29-11-1-12-30(15-14-29)23(32)18-4-8-20(26)9-5-18/h2-10,13,16H,1,11-12,14-15H2
InChIKeyKSJDJQRFEIWQEU-UHFFFAOYSA-N
XLogP4.03
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]ethanone
CID 155566559
(3,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91887668
[4-(dimethylamino)phenyl]-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 75527193
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
CID 86342243
(3-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133371062
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-fluorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801603
(4-fluorophenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047613
(4-fluorophenyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 133481811

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone (CID 155553694) is (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
The InChIKey is KSJDJQRFEIWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-19-6-2-17(3-7-19)21-16-31-13-10-22(28-24(31)27-21)29-11-1-12-30(15-14-29)23(32)18-4-8-20(26)9-5-18/h2-10,13,16H,1,11-12,14-15H2.
What are the key properties of (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
(4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone has a molecular weight of 433.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 155553694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).